USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 741 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 28 HIS HE2 : A 28 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 32 HIS HE2 : A 32 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 56 HIS HE2 : A 56 HIS NE2 : A 102 ZNZN :(H bumps) USER MOD NoAdj-H: A 60 HIS HE2 : A 60 HIS NE2 : A 102 ZNZN :(H bumps) USER MOD NoAdj-H: A 83 HIS HE2 : A 83 HIS NE2 : A 103 ZNZN :(H bumps) USER MOD NoAdj-H: A 88 HIS HE2 : A 88 HIS NE2 : A 103 ZNZN :(H bumps) USER MOD Set 1.1: A 69 TYR OH : rot 180:sc= 0.595 USER MOD Set 1.2: A 89 LYS NZ :NH3+ 163:sc= 0.66 (180deg=0) USER MOD Set 2.1: A 64 LYS NZ :NH3+ -158:sc= 1 (180deg=0.00406) USER MOD Set 2.2: A 73 THR OG1 : rot -80:sc= 1.34 USER MOD Set 3.1: A 45 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 47 SER OG : rot 71:sc= 0.364 USER MOD Set 3.3: A 52 ASN : amide:sc= 0.402 K(o=0.77,f=-0.038) USER MOD Set 4.1: A 34 ASN : amide:sc= 0.0427 K(o=1,f=-0.23) USER MOD Set 4.2: A 39 LYS NZ :NH3+ 176:sc= 0.972 (180deg=0.942) USER MOD Set 5.1: A 23 HIS : no HD1:sc= -0.0526 X(o=-0.053,f=-0.053) USER MOD Set 5.2: A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -117:sc= 0.0748 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.0647 K(o=-0.065,f=-0.81) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.055 X(o=-0.055,f=-0.42) USER MOD Single : A 33 THR OG1 : rot 51:sc= 0.167 USER MOD Single : A 36 LYS NZ :NH3+ -131:sc= 0.746 (180deg=0.0516) USER MOD Single : A 38 TYR OH : rot 180:sc= -0.0883 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0.78 K(o=0.78,f=-3.8!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot -42:sc= 0.00293 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 CYS SG : rot 106:sc= -0.0433 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HE2:sc= 0.752 K(o=0.75,f=-3.1!) USER MOD Single : A 81 LYS NZ :NH3+ 167:sc= 1.32 (180deg=1.13) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 32.162 14.556 26.798 1.00 0.00 N ATOM 2 CA GLY A 1 32.025 15.870 26.129 1.00 0.00 C ATOM 3 C GLY A 1 30.571 16.307 26.015 1.00 0.00 C ATOM 4 O GLY A 1 29.653 15.552 26.343 1.00 0.00 O ATOM 0 H1 GLY A 1 32.696 14.671 27.683 1.00 0.00 H new ATOM 0 H2 GLY A 1 31.218 14.174 27.010 1.00 0.00 H new ATOM 0 H3 GLY A 1 32.668 13.898 26.171 1.00 0.00 H new ATOM 0 HA2 GLY A 1 32.586 16.620 26.687 1.00 0.00 H new ATOM 0 HA3 GLY A 1 32.466 15.817 25.134 1.00 0.00 H new ATOM 10 N SER A 2 30.346 17.539 25.549 1.00 0.00 N ATOM 11 CA SER A 2 29.007 18.137 25.379 1.00 0.00 C ATOM 12 C SER A 2 28.177 17.448 24.282 1.00 0.00 C ATOM 13 O SER A 2 28.720 16.971 23.279 1.00 0.00 O ATOM 14 CB SER A 2 29.129 19.634 25.055 1.00 0.00 C ATOM 15 OG SER A 2 29.904 20.311 26.036 1.00 0.00 O ATOM 0 H SER A 2 31.101 18.166 25.272 1.00 0.00 H new ATOM 0 HA SER A 2 28.484 17.995 26.325 1.00 0.00 H new ATOM 0 HB2 SER A 2 29.588 19.760 24.074 1.00 0.00 H new ATOM 0 HB3 SER A 2 28.136 20.079 25.002 1.00 0.00 H new ATOM 0 HG SER A 2 29.967 21.261 25.805 1.00 0.00 H new ATOM 21 N SER A 3 26.851 17.423 24.450 1.00 0.00 N ATOM 22 CA SER A 3 25.907 16.860 23.470 1.00 0.00 C ATOM 23 C SER A 3 25.685 17.793 22.265 1.00 0.00 C ATOM 24 O SER A 3 25.801 19.018 22.379 1.00 0.00 O ATOM 25 CB SER A 3 24.577 16.527 24.159 1.00 0.00 C ATOM 26 OG SER A 3 23.756 15.749 23.303 1.00 0.00 O ATOM 0 H SER A 3 26.393 17.798 25.281 1.00 0.00 H new ATOM 0 HA SER A 3 26.346 15.944 23.075 1.00 0.00 H new ATOM 0 HB2 SER A 3 24.766 15.983 25.084 1.00 0.00 H new ATOM 0 HB3 SER A 3 24.060 17.448 24.430 1.00 0.00 H new ATOM 0 HG SER A 3 22.912 15.543 23.757 1.00 0.00 H new ATOM 32 N GLY A 4 25.356 17.218 21.105 1.00 0.00 N ATOM 33 CA GLY A 4 25.077 17.940 19.858 1.00 0.00 C ATOM 34 C GLY A 4 24.758 17.011 18.678 1.00 0.00 C ATOM 35 O GLY A 4 25.053 15.812 18.714 1.00 0.00 O ATOM 0 H GLY A 4 25.274 16.206 21.003 1.00 0.00 H new ATOM 0 HA2 GLY A 4 24.237 18.615 20.017 1.00 0.00 H new ATOM 0 HA3 GLY A 4 25.938 18.557 19.603 1.00 0.00 H new ATOM 39 N SER A 5 24.147 17.567 17.630 1.00 0.00 N ATOM 40 CA SER A 5 23.741 16.856 16.403 1.00 0.00 C ATOM 41 C SER A 5 23.679 17.785 15.177 1.00 0.00 C ATOM 42 O SER A 5 23.660 19.014 15.314 1.00 0.00 O ATOM 43 CB SER A 5 22.382 16.166 16.617 1.00 0.00 C ATOM 44 OG SER A 5 21.359 17.107 16.917 1.00 0.00 O ATOM 0 H SER A 5 23.910 18.559 17.605 1.00 0.00 H new ATOM 0 HA SER A 5 24.504 16.106 16.197 1.00 0.00 H new ATOM 0 HB2 SER A 5 22.112 15.607 15.721 1.00 0.00 H new ATOM 0 HB3 SER A 5 22.464 15.445 17.430 1.00 0.00 H new ATOM 0 HG SER A 5 20.509 16.636 17.045 1.00 0.00 H new ATOM 50 N SER A 6 23.636 17.194 13.977 1.00 0.00 N ATOM 51 CA SER A 6 23.547 17.895 12.682 1.00 0.00 C ATOM 52 C SER A 6 22.464 17.281 11.785 1.00 0.00 C ATOM 53 O SER A 6 22.284 16.059 11.763 1.00 0.00 O ATOM 54 CB SER A 6 24.895 17.860 11.948 1.00 0.00 C ATOM 55 OG SER A 6 25.910 18.509 12.703 1.00 0.00 O ATOM 0 H SER A 6 23.663 16.180 13.873 1.00 0.00 H new ATOM 0 HA SER A 6 23.279 18.930 12.895 1.00 0.00 H new ATOM 0 HB2 SER A 6 25.183 16.826 11.761 1.00 0.00 H new ATOM 0 HB3 SER A 6 24.795 18.344 10.976 1.00 0.00 H new ATOM 0 HG SER A 6 26.758 18.470 12.213 1.00 0.00 H new ATOM 61 N GLY A 7 21.750 18.119 11.029 1.00 0.00 N ATOM 62 CA GLY A 7 20.707 17.692 10.086 1.00 0.00 C ATOM 63 C GLY A 7 21.261 17.079 8.790 1.00 0.00 C ATOM 64 O GLY A 7 22.368 17.411 8.352 1.00 0.00 O ATOM 0 H GLY A 7 21.881 19.130 11.054 1.00 0.00 H new ATOM 0 HA2 GLY A 7 20.063 16.962 10.576 1.00 0.00 H new ATOM 0 HA3 GLY A 7 20.083 18.550 9.834 1.00 0.00 H new ATOM 68 N LYS A 8 20.473 16.194 8.163 1.00 0.00 N ATOM 69 CA LYS A 8 20.757 15.554 6.863 1.00 0.00 C ATOM 70 C LYS A 8 19.463 15.296 6.080 1.00 0.00 C ATOM 71 O LYS A 8 18.398 15.117 6.674 1.00 0.00 O ATOM 72 CB LYS A 8 21.574 14.267 7.102 1.00 0.00 C ATOM 73 CG LYS A 8 22.082 13.620 5.802 1.00 0.00 C ATOM 74 CD LYS A 8 23.098 12.508 6.090 1.00 0.00 C ATOM 75 CE LYS A 8 23.541 11.856 4.774 1.00 0.00 C ATOM 76 NZ LYS A 8 24.581 10.819 5.001 1.00 0.00 N ATOM 0 H LYS A 8 19.584 15.890 8.560 1.00 0.00 H new ATOM 0 HA LYS A 8 21.354 16.224 6.244 1.00 0.00 H new ATOM 0 HB2 LYS A 8 22.426 14.499 7.741 1.00 0.00 H new ATOM 0 HB3 LYS A 8 20.957 13.548 7.641 1.00 0.00 H new ATOM 0 HG2 LYS A 8 21.240 13.210 5.245 1.00 0.00 H new ATOM 0 HG3 LYS A 8 22.542 14.380 5.171 1.00 0.00 H new ATOM 0 HD2 LYS A 8 23.962 12.919 6.612 1.00 0.00 H new ATOM 0 HD3 LYS A 8 22.655 11.759 6.747 1.00 0.00 H new ATOM 0 HE2 LYS A 8 22.679 11.406 4.282 1.00 0.00 H new ATOM 0 HE3 LYS A 8 23.929 12.620 4.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 24.857 10.399 4.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 25.413 11.254 5.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 24.202 10.077 5.623 1.00 0.00 H new ATOM 90 N ILE A 9 19.559 15.306 4.750 1.00 0.00 N ATOM 91 CA ILE A 9 18.439 15.182 3.801 1.00 0.00 C ATOM 92 C ILE A 9 18.781 14.121 2.742 1.00 0.00 C ATOM 93 O ILE A 9 19.931 14.023 2.302 1.00 0.00 O ATOM 94 CB ILE A 9 18.111 16.563 3.173 1.00 0.00 C ATOM 95 CG1 ILE A 9 17.788 17.616 4.265 1.00 0.00 C ATOM 96 CG2 ILE A 9 16.943 16.442 2.183 1.00 0.00 C ATOM 97 CD1 ILE A 9 17.561 19.041 3.744 1.00 0.00 C ATOM 0 H ILE A 9 20.458 15.405 4.278 1.00 0.00 H new ATOM 0 HA ILE A 9 17.541 14.852 4.324 1.00 0.00 H new ATOM 0 HB ILE A 9 18.995 16.901 2.632 1.00 0.00 H new ATOM 0 HG12 ILE A 9 16.897 17.296 4.805 1.00 0.00 H new ATOM 0 HG13 ILE A 9 18.607 17.634 4.984 1.00 0.00 H new ATOM 0 HG21 ILE A 9 16.728 17.420 1.753 1.00 0.00 H new ATOM 0 HG22 ILE A 9 17.211 15.747 1.387 1.00 0.00 H new ATOM 0 HG23 ILE A 9 16.060 16.073 2.705 1.00 0.00 H new ATOM 0 HD11 ILE A 9 17.342 19.704 4.581 1.00 0.00 H new ATOM 0 HD12 ILE A 9 18.458 19.388 3.231 1.00 0.00 H new ATOM 0 HD13 ILE A 9 16.721 19.045 3.049 1.00 0.00 H new ATOM 109 N PHE A 10 17.785 13.333 2.332 1.00 0.00 N ATOM 110 CA PHE A 10 17.914 12.198 1.411 1.00 0.00 C ATOM 111 C PHE A 10 16.987 12.382 0.199 1.00 0.00 C ATOM 112 O PHE A 10 15.838 12.789 0.363 1.00 0.00 O ATOM 113 CB PHE A 10 17.609 10.906 2.188 1.00 0.00 C ATOM 114 CG PHE A 10 18.560 10.632 3.340 1.00 0.00 C ATOM 115 CD1 PHE A 10 18.325 11.201 4.608 1.00 0.00 C ATOM 116 CD2 PHE A 10 19.693 9.822 3.141 1.00 0.00 C ATOM 117 CE1 PHE A 10 19.217 10.960 5.669 1.00 0.00 C ATOM 118 CE2 PHE A 10 20.583 9.576 4.202 1.00 0.00 C ATOM 119 CZ PHE A 10 20.342 10.141 5.467 1.00 0.00 C ATOM 0 H PHE A 10 16.824 13.473 2.645 1.00 0.00 H new ATOM 0 HA PHE A 10 18.929 12.137 1.018 1.00 0.00 H new ATOM 0 HB2 PHE A 10 16.592 10.961 2.577 1.00 0.00 H new ATOM 0 HB3 PHE A 10 17.641 10.064 1.497 1.00 0.00 H new ATOM 0 HD1 PHE A 10 17.457 11.824 4.766 1.00 0.00 H new ATOM 0 HD2 PHE A 10 19.880 9.388 2.170 1.00 0.00 H new ATOM 0 HE1 PHE A 10 19.038 11.403 6.637 1.00 0.00 H new ATOM 0 HE2 PHE A 10 21.451 8.953 4.045 1.00 0.00 H new ATOM 0 HZ PHE A 10 21.021 9.946 6.284 1.00 0.00 H new ATOM 129 N THR A 11 17.462 12.098 -1.020 1.00 0.00 N ATOM 130 CA THR A 11 16.746 12.412 -2.273 1.00 0.00 C ATOM 131 C THR A 11 16.719 11.221 -3.238 1.00 0.00 C ATOM 132 O THR A 11 17.745 10.570 -3.454 1.00 0.00 O ATOM 133 CB THR A 11 17.384 13.635 -2.956 1.00 0.00 C ATOM 134 OG1 THR A 11 17.490 14.723 -2.056 1.00 0.00 O ATOM 135 CG2 THR A 11 16.564 14.147 -4.136 1.00 0.00 C ATOM 0 H THR A 11 18.361 11.640 -1.171 1.00 0.00 H new ATOM 0 HA THR A 11 15.713 12.640 -2.010 1.00 0.00 H new ATOM 0 HB THR A 11 18.360 13.290 -3.296 1.00 0.00 H new ATOM 0 HG1 THR A 11 17.900 15.487 -2.513 1.00 0.00 H new ATOM 0 HG21 THR A 11 17.062 15.010 -4.578 1.00 0.00 H new ATOM 0 HG22 THR A 11 16.471 13.359 -4.884 1.00 0.00 H new ATOM 0 HG23 THR A 11 15.572 14.438 -3.791 1.00 0.00 H new ATOM 143 N CYS A 12 15.555 10.954 -3.841 1.00 0.00 N ATOM 144 CA CYS A 12 15.347 9.914 -4.851 1.00 0.00 C ATOM 145 C CYS A 12 15.947 10.314 -6.209 1.00 0.00 C ATOM 146 O CYS A 12 15.697 11.407 -6.724 1.00 0.00 O ATOM 147 CB CYS A 12 13.841 9.633 -4.928 1.00 0.00 C ATOM 148 SG CYS A 12 13.496 8.326 -6.143 1.00 0.00 S ATOM 0 H CYS A 12 14.704 11.475 -3.631 1.00 0.00 H new ATOM 0 HA CYS A 12 15.869 9.000 -4.568 1.00 0.00 H new ATOM 0 HB2 CYS A 12 13.471 9.333 -3.948 1.00 0.00 H new ATOM 0 HB3 CYS A 12 13.309 10.544 -5.204 1.00 0.00 H new ATOM 153 N GLU A 13 16.723 9.413 -6.815 1.00 0.00 N ATOM 154 CA GLU A 13 17.346 9.622 -8.129 1.00 0.00 C ATOM 155 C GLU A 13 16.398 9.357 -9.318 1.00 0.00 C ATOM 156 O GLU A 13 16.734 9.692 -10.456 1.00 0.00 O ATOM 157 CB GLU A 13 18.648 8.805 -8.230 1.00 0.00 C ATOM 158 CG GLU A 13 18.435 7.285 -8.258 1.00 0.00 C ATOM 159 CD GLU A 13 19.788 6.550 -8.326 1.00 0.00 C ATOM 160 OE1 GLU A 13 20.346 6.390 -9.440 1.00 0.00 O ATOM 161 OE2 GLU A 13 20.315 6.136 -7.264 1.00 0.00 O ATOM 0 H GLU A 13 16.941 8.505 -6.404 1.00 0.00 H new ATOM 0 HA GLU A 13 17.588 10.682 -8.203 1.00 0.00 H new ATOM 0 HB2 GLU A 13 19.182 9.103 -9.133 1.00 0.00 H new ATOM 0 HB3 GLU A 13 19.288 9.056 -7.384 1.00 0.00 H new ATOM 0 HG2 GLU A 13 17.889 6.972 -7.368 1.00 0.00 H new ATOM 0 HG3 GLU A 13 17.824 7.014 -9.119 1.00 0.00 H new ATOM 168 N TYR A 14 15.217 8.777 -9.067 1.00 0.00 N ATOM 169 CA TYR A 14 14.262 8.361 -10.106 1.00 0.00 C ATOM 170 C TYR A 14 13.075 9.327 -10.287 1.00 0.00 C ATOM 171 O TYR A 14 12.561 9.446 -11.402 1.00 0.00 O ATOM 172 CB TYR A 14 13.756 6.950 -9.787 1.00 0.00 C ATOM 173 CG TYR A 14 14.821 5.869 -9.757 1.00 0.00 C ATOM 174 CD1 TYR A 14 15.270 5.294 -10.961 1.00 0.00 C ATOM 175 CD2 TYR A 14 15.346 5.426 -8.527 1.00 0.00 C ATOM 176 CE1 TYR A 14 16.245 4.277 -10.940 1.00 0.00 C ATOM 177 CE2 TYR A 14 16.319 4.408 -8.502 1.00 0.00 C ATOM 178 CZ TYR A 14 16.772 3.831 -9.707 1.00 0.00 C ATOM 179 OH TYR A 14 17.713 2.847 -9.673 1.00 0.00 O ATOM 0 H TYR A 14 14.892 8.580 -8.121 1.00 0.00 H new ATOM 0 HA TYR A 14 14.799 8.374 -11.054 1.00 0.00 H new ATOM 0 HB2 TYR A 14 13.257 6.972 -8.818 1.00 0.00 H new ATOM 0 HB3 TYR A 14 13.004 6.676 -10.527 1.00 0.00 H new ATOM 0 HD1 TYR A 14 14.866 5.633 -11.903 1.00 0.00 H new ATOM 0 HD2 TYR A 14 15.002 5.867 -7.603 1.00 0.00 H new ATOM 0 HE1 TYR A 14 16.589 3.839 -11.865 1.00 0.00 H new ATOM 0 HE2 TYR A 14 16.719 4.068 -7.558 1.00 0.00 H new ATOM 0 HH TYR A 14 17.964 2.666 -8.743 1.00 0.00 H new ATOM 189 N CYS A 15 12.644 10.015 -9.217 1.00 0.00 N ATOM 190 CA CYS A 15 11.505 10.950 -9.224 1.00 0.00 C ATOM 191 C CYS A 15 11.752 12.295 -8.494 1.00 0.00 C ATOM 192 O CYS A 15 10.853 13.138 -8.415 1.00 0.00 O ATOM 193 CB CYS A 15 10.245 10.217 -8.734 1.00 0.00 C ATOM 194 SG CYS A 15 10.361 9.785 -6.985 1.00 0.00 S ATOM 0 H CYS A 15 13.087 9.935 -8.302 1.00 0.00 H new ATOM 0 HA CYS A 15 11.358 11.267 -10.257 1.00 0.00 H new ATOM 0 HB2 CYS A 15 9.371 10.848 -8.896 1.00 0.00 H new ATOM 0 HB3 CYS A 15 10.098 9.312 -9.323 1.00 0.00 H new ATOM 199 N ASN A 16 12.976 12.527 -7.997 1.00 0.00 N ATOM 200 CA ASN A 16 13.418 13.750 -7.309 1.00 0.00 C ATOM 201 C ASN A 16 12.630 14.114 -6.024 1.00 0.00 C ATOM 202 O ASN A 16 12.656 15.267 -5.579 1.00 0.00 O ATOM 203 CB ASN A 16 13.554 14.896 -8.337 1.00 0.00 C ATOM 204 CG ASN A 16 14.438 16.047 -7.870 1.00 0.00 C ATOM 205 OD1 ASN A 16 15.371 15.894 -7.093 1.00 0.00 O ATOM 206 ND2 ASN A 16 14.201 17.241 -8.368 1.00 0.00 N ATOM 0 H ASN A 16 13.721 11.834 -8.067 1.00 0.00 H new ATOM 0 HA ASN A 16 14.405 13.551 -6.892 1.00 0.00 H new ATOM 0 HB2 ASN A 16 13.961 14.492 -9.264 1.00 0.00 H new ATOM 0 HB3 ASN A 16 12.562 15.284 -8.567 1.00 0.00 H new ATOM 0 HD21 ASN A 16 14.793 18.030 -8.106 1.00 0.00 H new ATOM 0 HD22 ASN A 16 13.426 17.378 -9.016 1.00 0.00 H new ATOM 213 N LYS A 17 11.937 13.148 -5.401 1.00 0.00 N ATOM 214 CA LYS A 17 11.334 13.307 -4.064 1.00 0.00 C ATOM 215 C LYS A 17 12.402 13.412 -2.974 1.00 0.00 C ATOM 216 O LYS A 17 13.491 12.851 -3.098 1.00 0.00 O ATOM 217 CB LYS A 17 10.381 12.150 -3.740 1.00 0.00 C ATOM 218 CG LYS A 17 9.061 12.245 -4.505 1.00 0.00 C ATOM 219 CD LYS A 17 8.149 11.086 -4.075 1.00 0.00 C ATOM 220 CE LYS A 17 6.943 10.891 -4.997 1.00 0.00 C ATOM 221 NZ LYS A 17 6.007 12.048 -4.971 1.00 0.00 N ATOM 0 H LYS A 17 11.777 12.228 -5.812 1.00 0.00 H new ATOM 0 HA LYS A 17 10.765 14.237 -4.085 1.00 0.00 H new ATOM 0 HB2 LYS A 17 10.868 11.205 -3.979 1.00 0.00 H new ATOM 0 HB3 LYS A 17 10.177 12.141 -2.669 1.00 0.00 H new ATOM 0 HG2 LYS A 17 8.577 13.200 -4.303 1.00 0.00 H new ATOM 0 HG3 LYS A 17 9.244 12.202 -5.579 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.731 10.165 -4.050 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.796 11.268 -3.060 1.00 0.00 H new ATOM 0 HE2 LYS A 17 7.293 10.735 -6.018 1.00 0.00 H new ATOM 0 HE3 LYS A 17 6.407 9.989 -4.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 5.209 11.864 -5.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 5.650 12.184 -4.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 6.507 12.906 -5.279 1.00 0.00 H new ATOM 235 N VAL A 18 12.053 14.107 -1.895 1.00 0.00 N ATOM 236 CA VAL A 18 12.944 14.439 -0.768 1.00 0.00 C ATOM 237 C VAL A 18 12.394 13.881 0.551 1.00 0.00 C ATOM 238 O VAL A 18 11.193 13.970 0.820 1.00 0.00 O ATOM 239 CB VAL A 18 13.184 15.962 -0.693 1.00 0.00 C ATOM 240 CG1 VAL A 18 14.172 16.324 0.419 1.00 0.00 C ATOM 241 CG2 VAL A 18 13.767 16.516 -2.002 1.00 0.00 C ATOM 0 H VAL A 18 11.109 14.472 -1.769 1.00 0.00 H new ATOM 0 HA VAL A 18 13.909 13.963 -0.940 1.00 0.00 H new ATOM 0 HB VAL A 18 12.206 16.400 -0.497 1.00 0.00 H new ATOM 0 HG11 VAL A 18 14.316 17.404 0.441 1.00 0.00 H new ATOM 0 HG12 VAL A 18 13.777 15.991 1.379 1.00 0.00 H new ATOM 0 HG13 VAL A 18 15.128 15.835 0.230 1.00 0.00 H new ATOM 0 HG21 VAL A 18 13.920 17.591 -1.906 1.00 0.00 H new ATOM 0 HG22 VAL A 18 14.721 16.031 -2.210 1.00 0.00 H new ATOM 0 HG23 VAL A 18 13.074 16.320 -2.820 1.00 0.00 H new ATOM 251 N PHE A 19 13.281 13.317 1.373 1.00 0.00 N ATOM 252 CA PHE A 19 12.985 12.572 2.601 1.00 0.00 C ATOM 253 C PHE A 19 13.930 12.979 3.748 1.00 0.00 C ATOM 254 O PHE A 19 15.095 13.326 3.525 1.00 0.00 O ATOM 255 CB PHE A 19 13.089 11.061 2.312 1.00 0.00 C ATOM 256 CG PHE A 19 12.200 10.577 1.178 1.00 0.00 C ATOM 257 CD1 PHE A 19 10.854 10.241 1.424 1.00 0.00 C ATOM 258 CD2 PHE A 19 12.702 10.517 -0.136 1.00 0.00 C ATOM 259 CE1 PHE A 19 10.012 9.872 0.359 1.00 0.00 C ATOM 260 CE2 PHE A 19 11.860 10.147 -1.199 1.00 0.00 C ATOM 261 CZ PHE A 19 10.510 9.838 -0.956 1.00 0.00 C ATOM 0 H PHE A 19 14.283 13.370 1.190 1.00 0.00 H new ATOM 0 HA PHE A 19 11.971 12.811 2.923 1.00 0.00 H new ATOM 0 HB2 PHE A 19 14.125 10.819 2.074 1.00 0.00 H new ATOM 0 HB3 PHE A 19 12.833 10.512 3.218 1.00 0.00 H new ATOM 0 HD1 PHE A 19 10.468 10.267 2.432 1.00 0.00 H new ATOM 0 HD2 PHE A 19 13.738 10.756 -0.328 1.00 0.00 H new ATOM 0 HE1 PHE A 19 8.981 9.614 0.552 1.00 0.00 H new ATOM 0 HE2 PHE A 19 12.251 10.100 -2.205 1.00 0.00 H new ATOM 0 HZ PHE A 19 9.858 9.576 -1.776 1.00 0.00 H new ATOM 271 N LYS A 20 13.439 12.916 4.994 1.00 0.00 N ATOM 272 CA LYS A 20 14.175 13.347 6.199 1.00 0.00 C ATOM 273 C LYS A 20 15.159 12.296 6.743 1.00 0.00 C ATOM 274 O LYS A 20 16.087 12.645 7.474 1.00 0.00 O ATOM 275 CB LYS A 20 13.152 13.801 7.260 1.00 0.00 C ATOM 276 CG LYS A 20 13.793 14.607 8.405 1.00 0.00 C ATOM 277 CD LYS A 20 12.771 15.399 9.236 1.00 0.00 C ATOM 278 CE LYS A 20 11.772 14.490 9.962 1.00 0.00 C ATOM 279 NZ LYS A 20 10.805 15.278 10.772 1.00 0.00 N ATOM 0 H LYS A 20 12.506 12.559 5.200 1.00 0.00 H new ATOM 0 HA LYS A 20 14.817 14.183 5.922 1.00 0.00 H new ATOM 0 HB2 LYS A 20 12.384 14.408 6.781 1.00 0.00 H new ATOM 0 HB3 LYS A 20 12.653 12.925 7.674 1.00 0.00 H new ATOM 0 HG2 LYS A 20 14.335 13.926 9.061 1.00 0.00 H new ATOM 0 HG3 LYS A 20 14.526 15.298 7.988 1.00 0.00 H new ATOM 0 HD2 LYS A 20 13.299 16.011 9.968 1.00 0.00 H new ATOM 0 HD3 LYS A 20 12.228 16.082 8.583 1.00 0.00 H new ATOM 0 HE2 LYS A 20 11.231 13.887 9.233 1.00 0.00 H new ATOM 0 HE3 LYS A 20 12.312 13.799 10.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.144 14.632 11.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 11.320 15.834 11.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.273 15.920 10.150 1.00 0.00 H new ATOM 293 N PHE A 21 14.980 11.025 6.374 1.00 0.00 N ATOM 294 CA PHE A 21 15.764 9.890 6.881 1.00 0.00 C ATOM 295 C PHE A 21 16.145 8.892 5.781 1.00 0.00 C ATOM 296 O PHE A 21 15.415 8.713 4.799 1.00 0.00 O ATOM 297 CB PHE A 21 14.973 9.166 7.981 1.00 0.00 C ATOM 298 CG PHE A 21 14.543 10.029 9.154 1.00 0.00 C ATOM 299 CD1 PHE A 21 15.481 10.412 10.131 1.00 0.00 C ATOM 300 CD2 PHE A 21 13.198 10.429 9.284 1.00 0.00 C ATOM 301 CE1 PHE A 21 15.077 11.185 11.236 1.00 0.00 C ATOM 302 CE2 PHE A 21 12.791 11.188 10.396 1.00 0.00 C ATOM 303 CZ PHE A 21 13.731 11.568 11.371 1.00 0.00 C ATOM 0 H PHE A 21 14.269 10.747 5.698 1.00 0.00 H new ATOM 0 HA PHE A 21 16.692 10.296 7.283 1.00 0.00 H new ATOM 0 HB2 PHE A 21 14.083 8.723 7.533 1.00 0.00 H new ATOM 0 HB3 PHE A 21 15.581 8.345 8.360 1.00 0.00 H new ATOM 0 HD1 PHE A 21 16.514 10.112 10.033 1.00 0.00 H new ATOM 0 HD2 PHE A 21 12.478 10.152 8.528 1.00 0.00 H new ATOM 0 HE1 PHE A 21 15.801 11.484 11.980 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.756 11.479 10.501 1.00 0.00 H new ATOM 0 HZ PHE A 21 13.419 12.154 12.223 1.00 0.00 H new ATOM 313 N LYS A 22 17.260 8.177 5.990 1.00 0.00 N ATOM 314 CA LYS A 22 17.770 7.141 5.077 1.00 0.00 C ATOM 315 C LYS A 22 16.773 5.995 4.890 1.00 0.00 C ATOM 316 O LYS A 22 16.544 5.558 3.764 1.00 0.00 O ATOM 317 CB LYS A 22 19.120 6.630 5.614 1.00 0.00 C ATOM 318 CG LYS A 22 19.907 5.837 4.562 1.00 0.00 C ATOM 319 CD LYS A 22 21.269 5.405 5.121 1.00 0.00 C ATOM 320 CE LYS A 22 22.085 4.689 4.038 1.00 0.00 C ATOM 321 NZ LYS A 22 23.401 4.228 4.556 1.00 0.00 N ATOM 0 H LYS A 22 17.845 8.305 6.815 1.00 0.00 H new ATOM 0 HA LYS A 22 17.912 7.580 4.090 1.00 0.00 H new ATOM 0 HB2 LYS A 22 19.719 7.477 5.949 1.00 0.00 H new ATOM 0 HB3 LYS A 22 18.946 5.999 6.485 1.00 0.00 H new ATOM 0 HG2 LYS A 22 19.337 4.959 4.259 1.00 0.00 H new ATOM 0 HG3 LYS A 22 20.050 6.447 3.670 1.00 0.00 H new ATOM 0 HD2 LYS A 22 21.815 6.277 5.481 1.00 0.00 H new ATOM 0 HD3 LYS A 22 21.126 4.743 5.975 1.00 0.00 H new ATOM 0 HE2 LYS A 22 21.522 3.834 3.663 1.00 0.00 H new ATOM 0 HE3 LYS A 22 22.241 5.362 3.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 23.925 3.749 3.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 23.948 5.047 4.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 23.251 3.566 5.344 1.00 0.00 H new ATOM 335 N HIS A 23 16.131 5.553 5.974 1.00 0.00 N ATOM 336 CA HIS A 23 15.126 4.485 5.937 1.00 0.00 C ATOM 337 C HIS A 23 13.859 4.884 5.161 1.00 0.00 C ATOM 338 O HIS A 23 13.276 4.041 4.478 1.00 0.00 O ATOM 339 CB HIS A 23 14.815 4.005 7.366 1.00 0.00 C ATOM 340 CG HIS A 23 14.313 5.062 8.324 1.00 0.00 C ATOM 341 ND1 HIS A 23 15.027 5.619 9.364 1.00 0.00 N ATOM 342 CD2 HIS A 23 13.044 5.575 8.392 1.00 0.00 C ATOM 343 CE1 HIS A 23 14.210 6.449 10.038 1.00 0.00 C ATOM 344 NE2 HIS A 23 12.988 6.456 9.479 1.00 0.00 N ATOM 0 H HIS A 23 16.294 5.928 6.909 1.00 0.00 H new ATOM 0 HA HIS A 23 15.548 3.648 5.381 1.00 0.00 H new ATOM 0 HB2 HIS A 23 14.070 3.212 7.308 1.00 0.00 H new ATOM 0 HB3 HIS A 23 15.719 3.563 7.785 1.00 0.00 H new ATOM 0 HD2 HIS A 23 12.229 5.341 7.723 1.00 0.00 H new ATOM 0 HE1 HIS A 23 14.496 7.027 10.904 1.00 0.00 H new ATOM 0 HE2 HIS A 23 12.179 6.996 9.786 1.00 0.00 H new ATOM 352 N SER A 24 13.468 6.162 5.188 1.00 0.00 N ATOM 353 CA SER A 24 12.329 6.676 4.409 1.00 0.00 C ATOM 354 C SER A 24 12.616 6.655 2.905 1.00 0.00 C ATOM 355 O SER A 24 11.770 6.204 2.130 1.00 0.00 O ATOM 356 CB SER A 24 11.956 8.094 4.850 1.00 0.00 C ATOM 357 OG SER A 24 11.605 8.104 6.224 1.00 0.00 O ATOM 0 H SER A 24 13.932 6.874 5.752 1.00 0.00 H new ATOM 0 HA SER A 24 11.485 6.014 4.603 1.00 0.00 H new ATOM 0 HB2 SER A 24 12.794 8.769 4.677 1.00 0.00 H new ATOM 0 HB3 SER A 24 11.122 8.461 4.252 1.00 0.00 H new ATOM 0 HG SER A 24 11.370 9.016 6.495 1.00 0.00 H new ATOM 363 N LEU A 25 13.826 7.050 2.484 1.00 0.00 N ATOM 364 CA LEU A 25 14.255 6.910 1.088 1.00 0.00 C ATOM 365 C LEU A 25 14.382 5.431 0.681 1.00 0.00 C ATOM 366 O LEU A 25 13.868 5.044 -0.365 1.00 0.00 O ATOM 367 CB LEU A 25 15.561 7.694 0.851 1.00 0.00 C ATOM 368 CG LEU A 25 16.133 7.518 -0.572 1.00 0.00 C ATOM 369 CD1 LEU A 25 15.178 7.996 -1.665 1.00 0.00 C ATOM 370 CD2 LEU A 25 17.437 8.292 -0.730 1.00 0.00 C ATOM 0 H LEU A 25 14.527 7.471 3.095 1.00 0.00 H new ATOM 0 HA LEU A 25 13.487 7.340 0.445 1.00 0.00 H new ATOM 0 HB2 LEU A 25 15.378 8.753 1.032 1.00 0.00 H new ATOM 0 HB3 LEU A 25 16.307 7.370 1.577 1.00 0.00 H new ATOM 0 HG LEU A 25 16.294 6.446 -0.690 1.00 0.00 H new ATOM 0 HD11 LEU A 25 15.638 7.846 -2.642 1.00 0.00 H new ATOM 0 HD12 LEU A 25 14.249 7.428 -1.610 1.00 0.00 H new ATOM 0 HD13 LEU A 25 14.965 9.056 -1.524 1.00 0.00 H new ATOM 0 HD21 LEU A 25 17.822 8.154 -1.740 1.00 0.00 H new ATOM 0 HD22 LEU A 25 17.255 9.352 -0.553 1.00 0.00 H new ATOM 0 HD23 LEU A 25 18.168 7.924 -0.010 1.00 0.00 H new ATOM 382 N GLN A 26 15.005 4.582 1.503 1.00 0.00 N ATOM 383 CA GLN A 26 15.156 3.149 1.210 1.00 0.00 C ATOM 384 C GLN A 26 13.807 2.429 1.049 1.00 0.00 C ATOM 385 O GLN A 26 13.658 1.596 0.155 1.00 0.00 O ATOM 386 CB GLN A 26 15.993 2.478 2.310 1.00 0.00 C ATOM 387 CG GLN A 26 17.500 2.769 2.170 1.00 0.00 C ATOM 388 CD GLN A 26 18.159 2.125 0.946 1.00 0.00 C ATOM 389 OE1 GLN A 26 17.639 1.223 0.301 1.00 0.00 O ATOM 390 NE2 GLN A 26 19.346 2.559 0.577 1.00 0.00 N ATOM 0 H GLN A 26 15.420 4.866 2.391 1.00 0.00 H new ATOM 0 HA GLN A 26 15.670 3.067 0.252 1.00 0.00 H new ATOM 0 HB2 GLN A 26 15.649 2.824 3.285 1.00 0.00 H new ATOM 0 HB3 GLN A 26 15.830 1.401 2.279 1.00 0.00 H new ATOM 0 HG2 GLN A 26 17.646 3.848 2.120 1.00 0.00 H new ATOM 0 HG3 GLN A 26 18.010 2.419 3.068 1.00 0.00 H new ATOM 0 HE21 GLN A 26 19.799 3.309 1.098 1.00 0.00 H new ATOM 0 HE22 GLN A 26 19.812 2.145 -0.230 1.00 0.00 H new ATOM 399 N ALA A 27 12.804 2.780 1.860 1.00 0.00 N ATOM 400 CA ALA A 27 11.448 2.251 1.729 1.00 0.00 C ATOM 401 C ALA A 27 10.691 2.832 0.519 1.00 0.00 C ATOM 402 O ALA A 27 9.913 2.116 -0.113 1.00 0.00 O ATOM 403 CB ALA A 27 10.713 2.498 3.044 1.00 0.00 C ATOM 0 H ALA A 27 12.913 3.442 2.628 1.00 0.00 H new ATOM 0 HA ALA A 27 11.501 1.180 1.532 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.697 2.111 2.971 1.00 0.00 H new ATOM 0 HB2 ALA A 27 11.237 1.991 3.854 1.00 0.00 H new ATOM 0 HB3 ALA A 27 10.680 3.568 3.247 1.00 0.00 H new ATOM 409 N HIS A 28 10.950 4.091 0.141 1.00 0.00 N ATOM 410 CA HIS A 28 10.415 4.690 -1.085 1.00 0.00 C ATOM 411 C HIS A 28 10.989 4.034 -2.356 1.00 0.00 C ATOM 412 O HIS A 28 10.237 3.726 -3.282 1.00 0.00 O ATOM 413 CB HIS A 28 10.679 6.205 -1.079 1.00 0.00 C ATOM 414 CG HIS A 28 10.386 6.833 -2.415 1.00 0.00 C ATOM 415 ND1 HIS A 28 9.142 7.014 -2.968 1.00 0.00 N ATOM 416 CD2 HIS A 28 11.310 7.177 -3.366 1.00 0.00 C ATOM 417 CE1 HIS A 28 9.300 7.452 -4.224 1.00 0.00 C ATOM 418 NE2 HIS A 28 10.616 7.571 -4.527 1.00 0.00 N ATOM 0 H HIS A 28 11.540 4.724 0.681 1.00 0.00 H new ATOM 0 HA HIS A 28 9.340 4.512 -1.104 1.00 0.00 H new ATOM 0 HB2 HIS A 28 10.063 6.677 -0.313 1.00 0.00 H new ATOM 0 HB3 HIS A 28 11.719 6.391 -0.811 1.00 0.00 H new ATOM 0 HD1 HIS A 28 8.251 6.844 -2.502 1.00 0.00 H new ATOM 0 HD2 HIS A 28 12.383 7.151 -3.247 1.00 0.00 H new ATOM 0 HE1 HIS A 28 8.490 7.679 -4.902 1.00 0.00 H new ATOM 426 N LEU A 29 12.301 3.773 -2.400 1.00 0.00 N ATOM 427 CA LEU A 29 12.998 3.201 -3.562 1.00 0.00 C ATOM 428 C LEU A 29 12.431 1.840 -4.012 1.00 0.00 C ATOM 429 O LEU A 29 12.566 1.491 -5.186 1.00 0.00 O ATOM 430 CB LEU A 29 14.506 3.097 -3.256 1.00 0.00 C ATOM 431 CG LEU A 29 15.270 4.436 -3.305 1.00 0.00 C ATOM 432 CD1 LEU A 29 16.680 4.249 -2.742 1.00 0.00 C ATOM 433 CD2 LEU A 29 15.407 4.978 -4.729 1.00 0.00 C ATOM 0 H LEU A 29 12.923 3.957 -1.612 1.00 0.00 H new ATOM 0 HA LEU A 29 12.834 3.877 -4.401 1.00 0.00 H new ATOM 0 HB2 LEU A 29 14.632 2.659 -2.266 1.00 0.00 H new ATOM 0 HB3 LEU A 29 14.960 2.409 -3.969 1.00 0.00 H new ATOM 0 HG LEU A 29 14.694 5.146 -2.712 1.00 0.00 H new ATOM 0 HD11 LEU A 29 17.215 5.198 -2.779 1.00 0.00 H new ATOM 0 HD12 LEU A 29 16.617 3.908 -1.709 1.00 0.00 H new ATOM 0 HD13 LEU A 29 17.214 3.508 -3.337 1.00 0.00 H new ATOM 0 HD21 LEU A 29 15.952 5.922 -4.708 1.00 0.00 H new ATOM 0 HD22 LEU A 29 15.950 4.258 -5.341 1.00 0.00 H new ATOM 0 HD23 LEU A 29 14.416 5.141 -5.153 1.00 0.00 H new ATOM 445 N ARG A 30 11.721 1.122 -3.128 1.00 0.00 N ATOM 446 CA ARG A 30 11.053 -0.164 -3.411 1.00 0.00 C ATOM 447 C ARG A 30 10.074 -0.119 -4.592 1.00 0.00 C ATOM 448 O ARG A 30 9.853 -1.161 -5.213 1.00 0.00 O ATOM 449 CB ARG A 30 10.325 -0.657 -2.146 1.00 0.00 C ATOM 450 CG ARG A 30 11.286 -0.943 -0.981 1.00 0.00 C ATOM 451 CD ARG A 30 10.524 -1.370 0.277 1.00 0.00 C ATOM 452 NE ARG A 30 11.447 -1.582 1.410 1.00 0.00 N ATOM 453 CZ ARG A 30 11.122 -1.693 2.687 1.00 0.00 C ATOM 454 NH1 ARG A 30 9.886 -1.641 3.097 1.00 0.00 N ATOM 455 NH2 ARG A 30 12.047 -1.859 3.587 1.00 0.00 N ATOM 0 H ARG A 30 11.590 1.428 -2.164 1.00 0.00 H new ATOM 0 HA ARG A 30 11.841 -0.859 -3.702 1.00 0.00 H new ATOM 0 HB2 ARG A 30 9.597 0.093 -1.835 1.00 0.00 H new ATOM 0 HB3 ARG A 30 9.768 -1.563 -2.383 1.00 0.00 H new ATOM 0 HG2 ARG A 30 11.986 -1.727 -1.268 1.00 0.00 H new ATOM 0 HG3 ARG A 30 11.876 -0.052 -0.766 1.00 0.00 H new ATOM 0 HD2 ARG A 30 9.791 -0.607 0.539 1.00 0.00 H new ATOM 0 HD3 ARG A 30 9.971 -2.288 0.077 1.00 0.00 H new ATOM 0 HE ARG A 30 12.439 -1.650 1.184 1.00 0.00 H new ATOM 0 HH11 ARG A 30 9.131 -1.511 2.424 1.00 0.00 H new ATOM 0 HH12 ARG A 30 9.674 -1.731 4.091 1.00 0.00 H new ATOM 0 HH21 ARG A 30 13.027 -1.904 3.309 1.00 0.00 H new ATOM 0 HH22 ARG A 30 11.792 -1.944 4.571 1.00 0.00 H new ATOM 469 N ILE A 31 9.507 1.046 -4.926 1.00 0.00 N ATOM 470 CA ILE A 31 8.608 1.209 -6.084 1.00 0.00 C ATOM 471 C ILE A 31 9.369 1.273 -7.420 1.00 0.00 C ATOM 472 O ILE A 31 8.853 0.837 -8.449 1.00 0.00 O ATOM 473 CB ILE A 31 7.657 2.413 -5.907 1.00 0.00 C ATOM 474 CG1 ILE A 31 8.319 3.781 -6.191 1.00 0.00 C ATOM 475 CG2 ILE A 31 6.962 2.355 -4.532 1.00 0.00 C ATOM 476 CD1 ILE A 31 7.358 4.962 -6.037 1.00 0.00 C ATOM 0 H ILE A 31 9.657 1.908 -4.401 1.00 0.00 H new ATOM 0 HA ILE A 31 7.991 0.311 -6.124 1.00 0.00 H new ATOM 0 HB ILE A 31 6.889 2.325 -6.676 1.00 0.00 H new ATOM 0 HG12 ILE A 31 9.162 3.917 -5.513 1.00 0.00 H new ATOM 0 HG13 ILE A 31 8.722 3.779 -7.204 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.296 3.211 -4.425 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.384 1.434 -4.455 1.00 0.00 H new ATOM 0 HG23 ILE A 31 7.714 2.379 -3.743 1.00 0.00 H new ATOM 0 HD11 ILE A 31 7.886 5.891 -6.250 1.00 0.00 H new ATOM 0 HD12 ILE A 31 6.527 4.849 -6.734 1.00 0.00 H new ATOM 0 HD13 ILE A 31 6.975 4.989 -5.017 1.00 0.00 H new ATOM 488 N HIS A 32 10.602 1.792 -7.400 1.00 0.00 N ATOM 489 CA HIS A 32 11.468 1.935 -8.575 1.00 0.00 C ATOM 490 C HIS A 32 12.288 0.659 -8.839 1.00 0.00 C ATOM 491 O HIS A 32 12.507 0.292 -9.995 1.00 0.00 O ATOM 492 CB HIS A 32 12.380 3.158 -8.393 1.00 0.00 C ATOM 493 CG HIS A 32 11.651 4.464 -8.166 1.00 0.00 C ATOM 494 ND1 HIS A 32 10.815 5.107 -9.051 1.00 0.00 N ATOM 495 CD2 HIS A 32 11.767 5.275 -7.072 1.00 0.00 C ATOM 496 CE1 HIS A 32 10.441 6.279 -8.511 1.00 0.00 C ATOM 497 NE2 HIS A 32 11.013 6.448 -7.294 1.00 0.00 N ATOM 0 H HIS A 32 11.036 2.133 -6.543 1.00 0.00 H new ATOM 0 HA HIS A 32 10.840 2.088 -9.452 1.00 0.00 H new ATOM 0 HB2 HIS A 32 13.043 2.976 -7.547 1.00 0.00 H new ATOM 0 HB3 HIS A 32 13.010 3.259 -9.277 1.00 0.00 H new ATOM 0 HD1 HIS A 32 10.528 4.753 -9.963 1.00 0.00 H new ATOM 0 HD2 HIS A 32 12.341 5.055 -6.184 1.00 0.00 H new ATOM 0 HE1 HIS A 32 9.776 6.988 -8.982 1.00 0.00 H new ATOM 505 N THR A 33 12.687 -0.063 -7.783 1.00 0.00 N ATOM 506 CA THR A 33 13.359 -1.375 -7.867 1.00 0.00 C ATOM 507 C THR A 33 12.341 -2.501 -8.105 1.00 0.00 C ATOM 508 O THR A 33 12.109 -3.367 -7.254 1.00 0.00 O ATOM 509 CB THR A 33 14.262 -1.633 -6.644 1.00 0.00 C ATOM 510 OG1 THR A 33 13.518 -1.630 -5.444 1.00 0.00 O ATOM 511 CG2 THR A 33 15.361 -0.579 -6.499 1.00 0.00 C ATOM 0 H THR A 33 12.550 0.253 -6.823 1.00 0.00 H new ATOM 0 HA THR A 33 14.021 -1.361 -8.732 1.00 0.00 H new ATOM 0 HB THR A 33 14.711 -2.611 -6.817 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.751 -2.233 -5.533 1.00 0.00 H new ATOM 0 HG21 THR A 33 15.969 -0.806 -5.623 1.00 0.00 H new ATOM 0 HG22 THR A 33 15.990 -0.585 -7.389 1.00 0.00 H new ATOM 0 HG23 THR A 33 14.908 0.405 -6.381 1.00 0.00 H new ATOM 519 N ASN A 34 11.697 -2.489 -9.277 1.00 0.00 N ATOM 520 CA ASN A 34 10.600 -3.392 -9.658 1.00 0.00 C ATOM 521 C ASN A 34 11.068 -4.808 -10.079 1.00 0.00 C ATOM 522 O ASN A 34 10.425 -5.499 -10.868 1.00 0.00 O ATOM 523 CB ASN A 34 9.709 -2.673 -10.695 1.00 0.00 C ATOM 524 CG ASN A 34 8.296 -3.234 -10.754 1.00 0.00 C ATOM 525 OD1 ASN A 34 7.924 -4.001 -11.632 1.00 0.00 O ATOM 526 ND2 ASN A 34 7.455 -2.876 -9.810 1.00 0.00 N ATOM 0 H ASN A 34 11.933 -1.826 -10.016 1.00 0.00 H new ATOM 0 HA ASN A 34 9.994 -3.605 -8.778 1.00 0.00 H new ATOM 0 HB2 ASN A 34 9.663 -1.611 -10.453 1.00 0.00 H new ATOM 0 HB3 ASN A 34 10.168 -2.755 -11.680 1.00 0.00 H new ATOM 0 HD21 ASN A 34 6.501 -3.237 -9.813 1.00 0.00 H new ATOM 0 HD22 ASN A 34 7.756 -2.237 -9.074 1.00 0.00 H new ATOM 533 N GLU A 35 12.196 -5.262 -9.534 1.00 0.00 N ATOM 534 CA GLU A 35 12.883 -6.522 -9.869 1.00 0.00 C ATOM 535 C GLU A 35 12.269 -7.754 -9.168 1.00 0.00 C ATOM 536 O GLU A 35 12.744 -8.880 -9.331 1.00 0.00 O ATOM 537 CB GLU A 35 14.379 -6.375 -9.540 1.00 0.00 C ATOM 538 CG GLU A 35 15.016 -5.155 -10.226 1.00 0.00 C ATOM 539 CD GLU A 35 16.530 -5.096 -9.953 1.00 0.00 C ATOM 540 OE1 GLU A 35 16.944 -4.468 -8.948 1.00 0.00 O ATOM 541 OE2 GLU A 35 17.320 -5.671 -10.743 1.00 0.00 O ATOM 0 H GLU A 35 12.686 -4.738 -8.809 1.00 0.00 H new ATOM 0 HA GLU A 35 12.754 -6.704 -10.936 1.00 0.00 H new ATOM 0 HB2 GLU A 35 14.503 -6.287 -8.461 1.00 0.00 H new ATOM 0 HB3 GLU A 35 14.906 -7.278 -9.849 1.00 0.00 H new ATOM 0 HG2 GLU A 35 14.838 -5.204 -11.300 1.00 0.00 H new ATOM 0 HG3 GLU A 35 14.542 -4.242 -9.865 1.00 0.00 H new ATOM 548 N LYS A 36 11.207 -7.534 -8.384 1.00 0.00 N ATOM 549 CA LYS A 36 10.439 -8.531 -7.621 1.00 0.00 C ATOM 550 C LYS A 36 9.880 -9.612 -8.569 1.00 0.00 C ATOM 551 O LYS A 36 9.131 -9.259 -9.486 1.00 0.00 O ATOM 552 CB LYS A 36 9.321 -7.792 -6.858 1.00 0.00 C ATOM 553 CG LYS A 36 9.896 -6.855 -5.781 1.00 0.00 C ATOM 554 CD LYS A 36 8.833 -5.910 -5.198 1.00 0.00 C ATOM 555 CE LYS A 36 9.450 -4.974 -4.146 1.00 0.00 C ATOM 556 NZ LYS A 36 10.356 -3.951 -4.742 1.00 0.00 N ATOM 0 H LYS A 36 10.835 -6.593 -8.256 1.00 0.00 H new ATOM 0 HA LYS A 36 11.076 -9.045 -6.902 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.720 -7.215 -7.561 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.656 -8.519 -6.392 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.328 -7.451 -4.977 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.706 -6.265 -6.211 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.387 -5.320 -5.998 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.031 -6.493 -4.746 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.651 -4.471 -3.601 1.00 0.00 H new ATOM 0 HE3 LYS A 36 10.007 -5.567 -3.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 11.255 -3.936 -4.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.539 -4.187 -5.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 9.907 -3.015 -4.685 1.00 0.00 H new ATOM 570 N PRO A 37 10.227 -10.903 -8.391 1.00 0.00 N ATOM 571 CA PRO A 37 9.943 -11.952 -9.376 1.00 0.00 C ATOM 572 C PRO A 37 8.470 -12.363 -9.458 1.00 0.00 C ATOM 573 O PRO A 37 7.968 -12.653 -10.547 1.00 0.00 O ATOM 574 CB PRO A 37 10.807 -13.144 -8.948 1.00 0.00 C ATOM 575 CG PRO A 37 10.985 -12.952 -7.442 1.00 0.00 C ATOM 576 CD PRO A 37 11.056 -11.434 -7.317 1.00 0.00 C ATOM 0 HA PRO A 37 10.171 -11.583 -10.376 1.00 0.00 H new ATOM 0 HB2 PRO A 37 10.319 -14.092 -9.174 1.00 0.00 H new ATOM 0 HB3 PRO A 37 11.766 -13.148 -9.466 1.00 0.00 H new ATOM 0 HG2 PRO A 37 10.151 -13.368 -6.877 1.00 0.00 H new ATOM 0 HG3 PRO A 37 11.891 -13.434 -7.074 1.00 0.00 H new ATOM 0 HD2 PRO A 37 10.691 -11.105 -6.344 1.00 0.00 H new ATOM 0 HD3 PRO A 37 12.084 -11.083 -7.408 1.00 0.00 H new ATOM 584 N TYR A 38 7.768 -12.399 -8.326 1.00 0.00 N ATOM 585 CA TYR A 38 6.425 -12.974 -8.225 1.00 0.00 C ATOM 586 C TYR A 38 5.358 -11.910 -8.499 1.00 0.00 C ATOM 587 O TYR A 38 4.707 -11.381 -7.594 1.00 0.00 O ATOM 588 CB TYR A 38 6.277 -13.731 -6.897 1.00 0.00 C ATOM 589 CG TYR A 38 7.408 -14.709 -6.603 1.00 0.00 C ATOM 590 CD1 TYR A 38 7.893 -15.582 -7.599 1.00 0.00 C ATOM 591 CD2 TYR A 38 7.992 -14.720 -5.326 1.00 0.00 C ATOM 592 CE1 TYR A 38 8.994 -16.419 -7.332 1.00 0.00 C ATOM 593 CE2 TYR A 38 9.071 -15.579 -5.045 1.00 0.00 C ATOM 594 CZ TYR A 38 9.601 -16.403 -6.059 1.00 0.00 C ATOM 595 OH TYR A 38 10.678 -17.192 -5.795 1.00 0.00 O ATOM 0 H TYR A 38 8.118 -12.026 -7.444 1.00 0.00 H new ATOM 0 HA TYR A 38 6.269 -13.723 -9.002 1.00 0.00 H new ATOM 0 HB2 TYR A 38 6.218 -13.007 -6.084 1.00 0.00 H new ATOM 0 HB3 TYR A 38 5.334 -14.277 -6.907 1.00 0.00 H new ATOM 0 HD1 TYR A 38 7.419 -15.609 -8.569 1.00 0.00 H new ATOM 0 HD2 TYR A 38 7.611 -14.066 -4.556 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.374 -17.073 -8.103 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.493 -15.607 -4.051 1.00 0.00 H new ATOM 0 HH TYR A 38 10.967 -17.052 -4.869 1.00 0.00 H new ATOM 605 N LYS A 39 5.234 -11.564 -9.785 1.00 0.00 N ATOM 606 CA LYS A 39 4.274 -10.595 -10.329 1.00 0.00 C ATOM 607 C LYS A 39 2.878 -11.212 -10.457 1.00 0.00 C ATOM 608 O LYS A 39 2.740 -12.381 -10.824 1.00 0.00 O ATOM 609 CB LYS A 39 4.779 -10.048 -11.674 1.00 0.00 C ATOM 610 CG LYS A 39 6.030 -9.192 -11.446 1.00 0.00 C ATOM 611 CD LYS A 39 6.702 -8.737 -12.744 1.00 0.00 C ATOM 612 CE LYS A 39 8.109 -8.201 -12.447 1.00 0.00 C ATOM 613 NZ LYS A 39 8.100 -6.925 -11.684 1.00 0.00 N ATOM 0 H LYS A 39 5.827 -11.970 -10.509 1.00 0.00 H new ATOM 0 HA LYS A 39 4.190 -9.760 -9.634 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.008 -10.872 -12.350 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.001 -9.452 -12.151 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.758 -8.314 -10.860 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.747 -9.761 -10.855 1.00 0.00 H new ATOM 0 HD2 LYS A 39 6.762 -9.571 -13.444 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.102 -7.962 -13.222 1.00 0.00 H new ATOM 0 HE2 LYS A 39 8.665 -8.950 -11.883 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.640 -8.051 -13.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.077 -6.650 -11.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 7.656 -6.180 -12.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.561 -7.051 -10.803 1.00 0.00 H new ATOM 627 N CYS A 40 1.849 -10.415 -10.181 1.00 0.00 N ATOM 628 CA CYS A 40 0.450 -10.811 -10.316 1.00 0.00 C ATOM 629 C CYS A 40 0.049 -10.946 -11.807 1.00 0.00 C ATOM 630 O CYS A 40 0.397 -10.078 -12.618 1.00 0.00 O ATOM 631 CB CYS A 40 -0.398 -9.793 -9.548 1.00 0.00 C ATOM 632 SG CYS A 40 -2.172 -10.144 -9.669 1.00 0.00 S ATOM 0 H CYS A 40 1.967 -9.457 -9.851 1.00 0.00 H new ATOM 0 HA CYS A 40 0.281 -11.799 -9.888 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.101 -9.793 -8.499 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.201 -8.793 -9.935 1.00 0.00 H new ATOM 637 N PRO A 41 -0.687 -12.007 -12.194 1.00 0.00 N ATOM 638 CA PRO A 41 -1.232 -12.159 -13.542 1.00 0.00 C ATOM 639 C PRO A 41 -2.447 -11.249 -13.810 1.00 0.00 C ATOM 640 O PRO A 41 -2.884 -11.155 -14.959 1.00 0.00 O ATOM 641 CB PRO A 41 -1.590 -13.645 -13.648 1.00 0.00 C ATOM 642 CG PRO A 41 -1.961 -14.026 -12.217 1.00 0.00 C ATOM 643 CD PRO A 41 -1.029 -13.158 -11.374 1.00 0.00 C ATOM 0 HA PRO A 41 -0.509 -11.852 -14.298 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.420 -13.810 -14.335 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.750 -14.235 -14.015 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -3.009 -13.817 -12.003 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -1.803 -15.088 -12.029 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.518 -12.846 -10.451 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -0.134 -13.712 -11.089 1.00 0.00 H new ATOM 651 N GLN A 42 -3.003 -10.588 -12.781 1.00 0.00 N ATOM 652 CA GLN A 42 -4.227 -9.778 -12.879 1.00 0.00 C ATOM 653 C GLN A 42 -4.012 -8.269 -12.654 1.00 0.00 C ATOM 654 O GLN A 42 -4.785 -7.482 -13.210 1.00 0.00 O ATOM 655 CB GLN A 42 -5.283 -10.324 -11.898 1.00 0.00 C ATOM 656 CG GLN A 42 -5.735 -11.768 -12.174 1.00 0.00 C ATOM 657 CD GLN A 42 -6.511 -11.961 -13.481 1.00 0.00 C ATOM 658 OE1 GLN A 42 -6.955 -11.033 -14.146 1.00 0.00 O ATOM 659 NE2 GLN A 42 -6.730 -13.193 -13.896 1.00 0.00 N ATOM 0 H GLN A 42 -2.607 -10.602 -11.841 1.00 0.00 H new ATOM 0 HA GLN A 42 -4.574 -9.868 -13.908 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -4.880 -10.271 -10.887 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.157 -9.673 -11.927 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -4.856 -12.412 -12.192 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.358 -12.103 -11.345 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.371 -13.983 -13.360 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.259 -13.356 -14.753 1.00 0.00 H new ATOM 668 N CYS A 43 -3.003 -7.837 -11.879 1.00 0.00 N ATOM 669 CA CYS A 43 -2.743 -6.416 -11.603 1.00 0.00 C ATOM 670 C CYS A 43 -1.236 -6.075 -11.501 1.00 0.00 C ATOM 671 O CYS A 43 -0.367 -6.901 -11.794 1.00 0.00 O ATOM 672 CB CYS A 43 -3.568 -6.009 -10.367 1.00 0.00 C ATOM 673 SG CYS A 43 -2.935 -6.762 -8.858 1.00 0.00 S ATOM 0 H CYS A 43 -2.342 -8.468 -11.425 1.00 0.00 H new ATOM 0 HA CYS A 43 -3.069 -5.815 -12.452 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -3.556 -4.924 -10.264 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -4.607 -6.304 -10.511 1.00 0.00 H new ATOM 678 N SER A 44 -0.920 -4.832 -11.124 1.00 0.00 N ATOM 679 CA SER A 44 0.448 -4.289 -11.025 1.00 0.00 C ATOM 680 C SER A 44 1.252 -4.780 -9.805 1.00 0.00 C ATOM 681 O SER A 44 2.422 -4.416 -9.645 1.00 0.00 O ATOM 682 CB SER A 44 0.389 -2.756 -11.056 1.00 0.00 C ATOM 683 OG SER A 44 -0.428 -2.260 -10.005 1.00 0.00 O ATOM 0 H SER A 44 -1.632 -4.148 -10.869 1.00 0.00 H new ATOM 0 HA SER A 44 0.992 -4.672 -11.888 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.395 -2.347 -10.964 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.004 -2.422 -12.016 1.00 0.00 H new ATOM 0 HG SER A 44 -0.450 -1.281 -10.042 1.00 0.00 H new ATOM 689 N TYR A 45 0.654 -5.613 -8.949 1.00 0.00 N ATOM 690 CA TYR A 45 1.276 -6.224 -7.773 1.00 0.00 C ATOM 691 C TYR A 45 2.510 -7.078 -8.113 1.00 0.00 C ATOM 692 O TYR A 45 2.532 -7.815 -9.102 1.00 0.00 O ATOM 693 CB TYR A 45 0.210 -7.074 -7.067 1.00 0.00 C ATOM 694 CG TYR A 45 0.710 -7.893 -5.885 1.00 0.00 C ATOM 695 CD1 TYR A 45 1.344 -9.138 -6.091 1.00 0.00 C ATOM 696 CD2 TYR A 45 0.550 -7.401 -4.575 1.00 0.00 C ATOM 697 CE1 TYR A 45 1.817 -9.883 -4.996 1.00 0.00 C ATOM 698 CE2 TYR A 45 1.006 -8.153 -3.474 1.00 0.00 C ATOM 699 CZ TYR A 45 1.640 -9.397 -3.685 1.00 0.00 C ATOM 700 OH TYR A 45 2.078 -10.134 -2.633 1.00 0.00 O ATOM 0 H TYR A 45 -0.321 -5.892 -9.063 1.00 0.00 H new ATOM 0 HA TYR A 45 1.641 -5.428 -7.123 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.586 -6.415 -6.721 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -0.233 -7.752 -7.797 1.00 0.00 H new ATOM 0 HD1 TYR A 45 1.466 -9.520 -7.094 1.00 0.00 H new ATOM 0 HD2 TYR A 45 0.076 -6.444 -4.414 1.00 0.00 H new ATOM 0 HE1 TYR A 45 2.316 -10.827 -5.160 1.00 0.00 H new ATOM 0 HE2 TYR A 45 0.871 -7.778 -2.470 1.00 0.00 H new ATOM 0 HH TYR A 45 1.882 -9.661 -1.798 1.00 0.00 H new ATOM 710 N ALA A 46 3.520 -7.020 -7.242 1.00 0.00 N ATOM 711 CA ALA A 46 4.681 -7.913 -7.239 1.00 0.00 C ATOM 712 C ALA A 46 5.213 -8.170 -5.815 1.00 0.00 C ATOM 713 O ALA A 46 5.103 -7.303 -4.943 1.00 0.00 O ATOM 714 CB ALA A 46 5.776 -7.317 -8.131 1.00 0.00 C ATOM 0 H ALA A 46 3.553 -6.327 -6.494 1.00 0.00 H new ATOM 0 HA ALA A 46 4.371 -8.880 -7.634 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.643 -7.977 -8.133 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.399 -7.210 -9.148 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.066 -6.339 -7.747 1.00 0.00 H new ATOM 720 N SER A 47 5.844 -9.328 -5.589 1.00 0.00 N ATOM 721 CA SER A 47 6.549 -9.650 -4.338 1.00 0.00 C ATOM 722 C SER A 47 7.786 -10.539 -4.551 1.00 0.00 C ATOM 723 O SER A 47 7.989 -11.116 -5.622 1.00 0.00 O ATOM 724 CB SER A 47 5.575 -10.299 -3.341 1.00 0.00 C ATOM 725 OG SER A 47 6.137 -10.308 -2.035 1.00 0.00 O ATOM 0 H SER A 47 5.881 -10.079 -6.278 1.00 0.00 H new ATOM 0 HA SER A 47 6.920 -8.710 -3.929 1.00 0.00 H new ATOM 0 HB2 SER A 47 4.632 -9.752 -3.335 1.00 0.00 H new ATOM 0 HB3 SER A 47 5.349 -11.318 -3.654 1.00 0.00 H new ATOM 0 HG SER A 47 6.158 -9.394 -1.682 1.00 0.00 H new ATOM 731 N ALA A 48 8.616 -10.646 -3.510 1.00 0.00 N ATOM 732 CA ALA A 48 9.762 -11.552 -3.411 1.00 0.00 C ATOM 733 C ALA A 48 9.445 -12.859 -2.645 1.00 0.00 C ATOM 734 O ALA A 48 10.331 -13.697 -2.475 1.00 0.00 O ATOM 735 CB ALA A 48 10.917 -10.773 -2.768 1.00 0.00 C ATOM 0 H ALA A 48 8.501 -10.075 -2.673 1.00 0.00 H new ATOM 0 HA ALA A 48 10.039 -11.885 -4.411 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.789 -11.422 -2.680 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.166 -9.913 -3.389 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.618 -10.430 -1.777 1.00 0.00 H new ATOM 741 N ILE A 49 8.198 -13.040 -2.179 1.00 0.00 N ATOM 742 CA ILE A 49 7.736 -14.224 -1.432 1.00 0.00 C ATOM 743 C ILE A 49 6.534 -14.864 -2.146 1.00 0.00 C ATOM 744 O ILE A 49 5.526 -14.200 -2.403 1.00 0.00 O ATOM 745 CB ILE A 49 7.414 -13.848 0.037 1.00 0.00 C ATOM 746 CG1 ILE A 49 8.628 -13.176 0.725 1.00 0.00 C ATOM 747 CG2 ILE A 49 6.978 -15.100 0.823 1.00 0.00 C ATOM 748 CD1 ILE A 49 8.386 -12.768 2.183 1.00 0.00 C ATOM 0 H ILE A 49 7.462 -12.347 -2.315 1.00 0.00 H new ATOM 0 HA ILE A 49 8.534 -14.967 -1.404 1.00 0.00 H new ATOM 0 HB ILE A 49 6.594 -13.130 0.029 1.00 0.00 H new ATOM 0 HG12 ILE A 49 9.475 -13.861 0.688 1.00 0.00 H new ATOM 0 HG13 ILE A 49 8.909 -12.290 0.155 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.755 -14.823 1.853 1.00 0.00 H new ATOM 0 HG22 ILE A 49 6.088 -15.528 0.361 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.782 -15.835 0.811 1.00 0.00 H new ATOM 0 HD11 ILE A 49 9.287 -12.306 2.586 1.00 0.00 H new ATOM 0 HD12 ILE A 49 7.561 -12.057 2.230 1.00 0.00 H new ATOM 0 HD13 ILE A 49 8.137 -13.651 2.771 1.00 0.00 H new ATOM 760 N LYS A 50 6.616 -16.169 -2.444 1.00 0.00 N ATOM 761 CA LYS A 50 5.578 -16.915 -3.188 1.00 0.00 C ATOM 762 C LYS A 50 4.251 -17.008 -2.425 1.00 0.00 C ATOM 763 O LYS A 50 3.184 -16.820 -3.007 1.00 0.00 O ATOM 764 CB LYS A 50 6.080 -18.330 -3.530 1.00 0.00 C ATOM 765 CG LYS A 50 7.244 -18.349 -4.528 1.00 0.00 C ATOM 766 CD LYS A 50 7.556 -19.786 -4.966 1.00 0.00 C ATOM 767 CE LYS A 50 8.756 -19.818 -5.915 1.00 0.00 C ATOM 768 NZ LYS A 50 9.062 -21.201 -6.368 1.00 0.00 N ATOM 0 H LYS A 50 7.412 -16.747 -2.174 1.00 0.00 H new ATOM 0 HA LYS A 50 5.387 -16.356 -4.104 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.393 -18.826 -2.611 1.00 0.00 H new ATOM 0 HB3 LYS A 50 5.253 -18.910 -3.940 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.993 -17.744 -5.399 1.00 0.00 H new ATOM 0 HG3 LYS A 50 8.128 -17.902 -4.073 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.763 -20.401 -4.090 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.685 -20.217 -5.459 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.552 -19.188 -6.781 1.00 0.00 H new ATOM 0 HE3 LYS A 50 9.628 -19.398 -5.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.881 -21.183 -7.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.281 -21.796 -5.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.239 -21.593 -6.868 1.00 0.00 H new ATOM 782 N ALA A 51 4.314 -17.231 -1.111 1.00 0.00 N ATOM 783 CA ALA A 51 3.142 -17.272 -0.233 1.00 0.00 C ATOM 784 C ALA A 51 2.417 -15.911 -0.141 1.00 0.00 C ATOM 785 O ALA A 51 1.197 -15.873 0.018 1.00 0.00 O ATOM 786 CB ALA A 51 3.602 -17.750 1.149 1.00 0.00 C ATOM 0 H ALA A 51 5.193 -17.391 -0.619 1.00 0.00 H new ATOM 0 HA ALA A 51 2.411 -17.964 -0.652 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.747 -17.790 1.824 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.042 -18.743 1.062 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.345 -17.057 1.545 1.00 0.00 H new ATOM 792 N ASN A 52 3.134 -14.796 -0.307 1.00 0.00 N ATOM 793 CA ASN A 52 2.535 -13.460 -0.333 1.00 0.00 C ATOM 794 C ASN A 52 1.705 -13.259 -1.615 1.00 0.00 C ATOM 795 O ASN A 52 0.550 -12.835 -1.538 1.00 0.00 O ATOM 796 CB ASN A 52 3.652 -12.420 -0.155 1.00 0.00 C ATOM 797 CG ASN A 52 3.152 -11.038 0.232 1.00 0.00 C ATOM 798 OD1 ASN A 52 2.070 -10.845 0.769 1.00 0.00 O ATOM 799 ND2 ASN A 52 3.957 -10.027 0.005 1.00 0.00 N ATOM 0 H ASN A 52 4.147 -14.795 -0.427 1.00 0.00 H new ATOM 0 HA ASN A 52 1.831 -13.336 0.490 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.344 -12.772 0.610 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.216 -12.344 -1.085 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.680 -9.084 0.276 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.860 -10.185 -0.443 1.00 0.00 H new ATOM 806 N LEU A 53 2.226 -13.686 -2.779 1.00 0.00 N ATOM 807 CA LEU A 53 1.448 -13.747 -4.021 1.00 0.00 C ATOM 808 C LEU A 53 0.261 -14.723 -3.909 1.00 0.00 C ATOM 809 O LEU A 53 -0.809 -14.430 -4.434 1.00 0.00 O ATOM 810 CB LEU A 53 2.375 -14.086 -5.208 1.00 0.00 C ATOM 811 CG LEU A 53 1.638 -14.196 -6.561 1.00 0.00 C ATOM 812 CD1 LEU A 53 0.975 -12.886 -6.992 1.00 0.00 C ATOM 813 CD2 LEU A 53 2.603 -14.607 -7.669 1.00 0.00 C ATOM 0 H LEU A 53 3.192 -13.996 -2.881 1.00 0.00 H new ATOM 0 HA LEU A 53 1.012 -12.765 -4.203 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.146 -13.319 -5.286 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.882 -15.029 -5.003 1.00 0.00 H new ATOM 0 HG LEU A 53 0.864 -14.949 -6.410 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.474 -13.029 -7.950 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.244 -12.584 -6.242 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.734 -12.110 -7.092 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.063 -14.679 -8.613 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.393 -13.862 -7.758 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.043 -15.575 -7.428 1.00 0.00 H new ATOM 825 N ASN A 54 0.392 -15.845 -3.190 1.00 0.00 N ATOM 826 CA ASN A 54 -0.718 -16.779 -2.959 1.00 0.00 C ATOM 827 C ASN A 54 -1.885 -16.109 -2.201 1.00 0.00 C ATOM 828 O ASN A 54 -3.031 -16.172 -2.645 1.00 0.00 O ATOM 829 CB ASN A 54 -0.189 -18.023 -2.221 1.00 0.00 C ATOM 830 CG ASN A 54 -1.185 -19.170 -2.250 1.00 0.00 C ATOM 831 OD1 ASN A 54 -2.095 -19.268 -1.439 1.00 0.00 O ATOM 832 ND2 ASN A 54 -1.050 -20.066 -3.199 1.00 0.00 N ATOM 0 H ASN A 54 1.268 -16.131 -2.753 1.00 0.00 H new ATOM 0 HA ASN A 54 -1.125 -17.089 -3.921 1.00 0.00 H new ATOM 0 HB2 ASN A 54 0.747 -18.344 -2.678 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.034 -17.763 -1.186 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.705 -20.846 -3.261 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.290 -19.983 -3.875 1.00 0.00 H new ATOM 839 N VAL A 55 -1.594 -15.390 -1.110 1.00 0.00 N ATOM 840 CA VAL A 55 -2.587 -14.606 -0.345 1.00 0.00 C ATOM 841 C VAL A 55 -3.155 -13.444 -1.170 1.00 0.00 C ATOM 842 O VAL A 55 -4.340 -13.127 -1.060 1.00 0.00 O ATOM 843 CB VAL A 55 -1.975 -14.121 0.983 1.00 0.00 C ATOM 844 CG1 VAL A 55 -2.895 -13.180 1.774 1.00 0.00 C ATOM 845 CG2 VAL A 55 -1.664 -15.315 1.894 1.00 0.00 C ATOM 0 H VAL A 55 -0.652 -15.332 -0.724 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.428 -15.259 -0.112 1.00 0.00 H new ATOM 0 HB VAL A 55 -1.074 -13.576 0.702 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.400 -12.878 2.697 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.114 -12.297 1.174 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.825 -13.696 2.013 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.232 -14.957 2.829 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.584 -15.861 2.105 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.955 -15.977 1.397 1.00 0.00 H new ATOM 855 N HIS A 56 -2.356 -12.847 -2.055 1.00 0.00 N ATOM 856 CA HIS A 56 -2.819 -11.820 -2.989 1.00 0.00 C ATOM 857 C HIS A 56 -3.784 -12.373 -4.061 1.00 0.00 C ATOM 858 O HIS A 56 -4.839 -11.791 -4.311 1.00 0.00 O ATOM 859 CB HIS A 56 -1.597 -11.134 -3.611 1.00 0.00 C ATOM 860 CG HIS A 56 -2.000 -10.084 -4.601 1.00 0.00 C ATOM 861 ND1 HIS A 56 -2.575 -8.875 -4.296 1.00 0.00 N ATOM 862 CD2 HIS A 56 -2.020 -10.220 -5.961 1.00 0.00 C ATOM 863 CE1 HIS A 56 -2.945 -8.288 -5.441 1.00 0.00 C ATOM 864 NE2 HIS A 56 -2.633 -9.075 -6.501 1.00 0.00 N ATOM 0 H HIS A 56 -1.363 -13.064 -2.145 1.00 0.00 H new ATOM 0 HA HIS A 56 -3.405 -11.086 -2.436 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -0.993 -10.681 -2.824 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -0.972 -11.879 -4.104 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -2.699 -8.491 -3.359 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -1.634 -11.058 -6.522 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -3.425 -7.323 -5.511 1.00 0.00 H new ATOM 872 N LEU A 57 -3.485 -13.528 -4.663 1.00 0.00 N ATOM 873 CA LEU A 57 -4.363 -14.215 -5.625 1.00 0.00 C ATOM 874 C LEU A 57 -5.682 -14.681 -4.991 1.00 0.00 C ATOM 875 O LEU A 57 -6.720 -14.677 -5.653 1.00 0.00 O ATOM 876 CB LEU A 57 -3.613 -15.421 -6.200 1.00 0.00 C ATOM 877 CG LEU A 57 -2.501 -15.080 -7.204 1.00 0.00 C ATOM 878 CD1 LEU A 57 -1.622 -16.314 -7.391 1.00 0.00 C ATOM 879 CD2 LEU A 57 -3.073 -14.678 -8.561 1.00 0.00 C ATOM 0 H LEU A 57 -2.610 -14.024 -4.494 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.621 -13.505 -6.411 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.176 -15.984 -5.375 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.333 -16.078 -6.688 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.928 -14.240 -6.812 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.826 -16.090 -8.101 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.184 -16.597 -6.434 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.227 -17.137 -7.772 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.257 -14.444 -9.245 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.661 -15.501 -8.966 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.710 -13.801 -8.442 1.00 0.00 H new ATOM 891 N ARG A 58 -5.678 -14.998 -3.689 1.00 0.00 N ATOM 892 CA ARG A 58 -6.898 -15.273 -2.904 1.00 0.00 C ATOM 893 C ARG A 58 -7.867 -14.076 -2.827 1.00 0.00 C ATOM 894 O ARG A 58 -9.046 -14.283 -2.543 1.00 0.00 O ATOM 895 CB ARG A 58 -6.535 -15.821 -1.512 1.00 0.00 C ATOM 896 CG ARG A 58 -6.015 -17.266 -1.592 1.00 0.00 C ATOM 897 CD ARG A 58 -5.403 -17.718 -0.260 1.00 0.00 C ATOM 898 NE ARG A 58 -4.770 -19.043 -0.390 1.00 0.00 N ATOM 899 CZ ARG A 58 -5.320 -20.231 -0.230 1.00 0.00 C ATOM 900 NH1 ARG A 58 -6.573 -20.392 0.102 1.00 0.00 N ATOM 901 NH2 ARG A 58 -4.600 -21.297 -0.417 1.00 0.00 N ATOM 0 H ARG A 58 -4.820 -15.073 -3.142 1.00 0.00 H new ATOM 0 HA ARG A 58 -7.450 -16.044 -3.441 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -5.776 -15.185 -1.056 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -7.412 -15.784 -0.866 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -6.833 -17.934 -1.863 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.267 -17.341 -2.381 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -4.663 -16.989 0.070 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -6.178 -17.755 0.506 1.00 0.00 H new ATOM 0 HE ARG A 58 -3.780 -19.041 -0.635 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -7.170 -19.578 0.249 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.954 -21.331 0.214 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -3.620 -21.210 -0.685 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.015 -22.221 -0.296 1.00 0.00 H new ATOM 915 N LYS A 59 -7.423 -12.850 -3.154 1.00 0.00 N ATOM 916 CA LYS A 59 -8.297 -11.672 -3.346 1.00 0.00 C ATOM 917 C LYS A 59 -8.955 -11.648 -4.734 1.00 0.00 C ATOM 918 O LYS A 59 -10.105 -11.227 -4.861 1.00 0.00 O ATOM 919 CB LYS A 59 -7.523 -10.362 -3.101 1.00 0.00 C ATOM 920 CG LYS A 59 -6.801 -10.319 -1.745 1.00 0.00 C ATOM 921 CD LYS A 59 -6.265 -8.916 -1.435 1.00 0.00 C ATOM 922 CE LYS A 59 -5.574 -8.915 -0.065 1.00 0.00 C ATOM 923 NZ LYS A 59 -5.113 -7.554 0.319 1.00 0.00 N ATOM 0 H LYS A 59 -6.434 -12.643 -3.295 1.00 0.00 H new ATOM 0 HA LYS A 59 -9.095 -11.755 -2.608 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.791 -10.228 -3.897 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -8.217 -9.523 -3.161 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.487 -10.629 -0.957 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.976 -11.032 -1.749 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.561 -8.607 -2.208 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.082 -8.195 -1.441 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.264 -9.292 0.690 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.722 -9.595 -0.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.651 -7.594 1.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.436 -7.204 -0.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.929 -6.911 0.364 1.00 0.00 H new ATOM 937 N HIS A 60 -8.251 -12.127 -5.765 1.00 0.00 N ATOM 938 CA HIS A 60 -8.732 -12.190 -7.154 1.00 0.00 C ATOM 939 C HIS A 60 -9.668 -13.381 -7.432 1.00 0.00 C ATOM 940 O HIS A 60 -10.602 -13.260 -8.227 1.00 0.00 O ATOM 941 CB HIS A 60 -7.525 -12.249 -8.106 1.00 0.00 C ATOM 942 CG HIS A 60 -6.739 -10.965 -8.195 1.00 0.00 C ATOM 943 ND1 HIS A 60 -7.211 -9.763 -8.669 1.00 0.00 N ATOM 944 CD2 HIS A 60 -5.415 -10.791 -7.892 1.00 0.00 C ATOM 945 CE1 HIS A 60 -6.207 -8.874 -8.655 1.00 0.00 C ATOM 946 NE2 HIS A 60 -5.070 -9.454 -8.206 1.00 0.00 N ATOM 0 H HIS A 60 -7.305 -12.492 -5.656 1.00 0.00 H new ATOM 0 HA HIS A 60 -9.322 -11.289 -7.324 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -6.858 -13.047 -7.779 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -7.876 -12.516 -9.103 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -8.165 -9.579 -8.979 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -4.752 -11.540 -7.486 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -6.294 -7.841 -8.959 1.00 0.00 H new ATOM 954 N THR A 61 -9.433 -14.531 -6.788 1.00 0.00 N ATOM 955 CA THR A 61 -10.161 -15.792 -7.056 1.00 0.00 C ATOM 956 C THR A 61 -11.613 -15.806 -6.538 1.00 0.00 C ATOM 957 O THR A 61 -12.427 -16.626 -6.973 1.00 0.00 O ATOM 958 CB THR A 61 -9.342 -16.976 -6.512 1.00 0.00 C ATOM 959 OG1 THR A 61 -9.728 -18.184 -7.131 1.00 0.00 O ATOM 960 CG2 THR A 61 -9.471 -17.153 -4.998 1.00 0.00 C ATOM 0 H THR A 61 -8.726 -14.620 -6.058 1.00 0.00 H new ATOM 0 HA THR A 61 -10.263 -15.883 -8.137 1.00 0.00 H new ATOM 0 HB THR A 61 -8.303 -16.740 -6.743 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.704 -18.213 -7.212 1.00 0.00 H new ATOM 0 HG21 THR A 61 -8.870 -18.004 -4.679 1.00 0.00 H new ATOM 0 HG22 THR A 61 -9.120 -16.252 -4.495 1.00 0.00 H new ATOM 0 HG23 THR A 61 -10.515 -17.329 -4.740 1.00 0.00 H new ATOM 968 N GLY A 62 -11.970 -14.878 -5.640 1.00 0.00 N ATOM 969 CA GLY A 62 -13.301 -14.777 -5.031 1.00 0.00 C ATOM 970 C GLY A 62 -13.527 -15.765 -3.878 1.00 0.00 C ATOM 971 O GLY A 62 -12.593 -16.137 -3.163 1.00 0.00 O ATOM 0 H GLY A 62 -11.325 -14.160 -5.310 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -13.446 -13.762 -4.662 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -14.056 -14.948 -5.798 1.00 0.00 H new ATOM 975 N GLU A 63 -14.780 -16.172 -3.670 1.00 0.00 N ATOM 976 CA GLU A 63 -15.199 -17.039 -2.567 1.00 0.00 C ATOM 977 C GLU A 63 -14.637 -18.465 -2.694 1.00 0.00 C ATOM 978 O GLU A 63 -14.756 -19.123 -3.732 1.00 0.00 O ATOM 979 CB GLU A 63 -16.736 -17.045 -2.475 1.00 0.00 C ATOM 980 CG GLU A 63 -17.260 -17.798 -1.243 1.00 0.00 C ATOM 981 CD GLU A 63 -18.780 -17.595 -1.080 1.00 0.00 C ATOM 982 OE1 GLU A 63 -19.569 -18.202 -1.846 1.00 0.00 O ATOM 983 OE2 GLU A 63 -19.200 -16.820 -0.185 1.00 0.00 O ATOM 0 H GLU A 63 -15.552 -15.901 -4.280 1.00 0.00 H new ATOM 0 HA GLU A 63 -14.786 -16.635 -1.643 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -17.097 -16.017 -2.446 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -17.147 -17.502 -3.375 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -17.039 -18.861 -1.340 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -16.744 -17.446 -0.350 1.00 0.00 H new ATOM 990 N LYS A 64 -14.074 -18.941 -1.581 1.00 0.00 N ATOM 991 CA LYS A 64 -13.647 -20.331 -1.354 1.00 0.00 C ATOM 992 C LYS A 64 -14.265 -20.899 -0.071 1.00 0.00 C ATOM 993 O LYS A 64 -14.477 -20.173 0.904 1.00 0.00 O ATOM 994 CB LYS A 64 -12.111 -20.447 -1.303 1.00 0.00 C ATOM 995 CG LYS A 64 -11.401 -19.974 -2.584 1.00 0.00 C ATOM 996 CD LYS A 64 -9.923 -20.408 -2.626 1.00 0.00 C ATOM 997 CE LYS A 64 -9.779 -21.883 -3.031 1.00 0.00 C ATOM 998 NZ LYS A 64 -8.375 -22.363 -2.941 1.00 0.00 N ATOM 0 H LYS A 64 -13.893 -18.344 -0.774 1.00 0.00 H new ATOM 0 HA LYS A 64 -14.005 -20.920 -2.199 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -11.741 -19.864 -0.459 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -11.842 -21.486 -1.114 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -11.920 -20.375 -3.454 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -11.461 -18.888 -2.650 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -9.379 -19.781 -3.332 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -9.469 -20.253 -1.647 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -10.411 -22.496 -2.389 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -10.140 -22.013 -4.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -8.253 -23.197 -3.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.730 -21.609 -3.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.158 -22.619 -1.957 1.00 0.00 H new ATOM 1012 N PHE A 65 -14.496 -22.207 -0.065 1.00 0.00 N ATOM 1013 CA PHE A 65 -14.876 -23.010 1.100 1.00 0.00 C ATOM 1014 C PHE A 65 -13.623 -23.673 1.695 1.00 0.00 C ATOM 1015 O PHE A 65 -12.681 -23.978 0.957 1.00 0.00 O ATOM 1016 CB PHE A 65 -15.946 -24.035 0.687 1.00 0.00 C ATOM 1017 CG PHE A 65 -17.192 -23.409 0.087 1.00 0.00 C ATOM 1018 CD1 PHE A 65 -17.272 -23.178 -1.299 1.00 0.00 C ATOM 1019 CD2 PHE A 65 -18.253 -23.012 0.925 1.00 0.00 C ATOM 1020 CE1 PHE A 65 -18.403 -22.548 -1.847 1.00 0.00 C ATOM 1021 CE2 PHE A 65 -19.388 -22.386 0.375 1.00 0.00 C ATOM 1022 CZ PHE A 65 -19.462 -22.155 -1.011 1.00 0.00 C ATOM 0 H PHE A 65 -14.420 -22.768 -0.914 1.00 0.00 H new ATOM 0 HA PHE A 65 -15.310 -22.380 1.876 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -15.514 -24.727 -0.036 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -16.230 -24.622 1.560 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -16.462 -23.486 -1.944 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -18.196 -23.188 1.989 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -18.458 -22.366 -2.910 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -20.202 -22.083 1.017 1.00 0.00 H new ATOM 0 HZ PHE A 65 -20.333 -21.675 -1.433 1.00 0.00 H new ATOM 1032 N ALA A 66 -13.591 -23.883 3.014 1.00 0.00 N ATOM 1033 CA ALA A 66 -12.395 -24.311 3.750 1.00 0.00 C ATOM 1034 C ALA A 66 -12.648 -25.522 4.666 1.00 0.00 C ATOM 1035 O ALA A 66 -13.675 -25.594 5.350 1.00 0.00 O ATOM 1036 CB ALA A 66 -11.862 -23.114 4.547 1.00 0.00 C ATOM 0 H ALA A 66 -14.408 -23.759 3.611 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.651 -24.647 3.028 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -10.972 -23.413 5.101 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -11.608 -22.305 3.862 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -12.626 -22.772 5.245 1.00 0.00 H new ATOM 1042 N CYS A 67 -11.686 -26.446 4.703 1.00 0.00 N ATOM 1043 CA CYS A 67 -11.713 -27.649 5.533 1.00 0.00 C ATOM 1044 C CYS A 67 -11.588 -27.327 7.036 1.00 0.00 C ATOM 1045 O CYS A 67 -10.890 -26.395 7.448 1.00 0.00 O ATOM 1046 CB CYS A 67 -10.616 -28.581 5.006 1.00 0.00 C ATOM 1047 SG CYS A 67 -10.711 -30.233 5.761 1.00 0.00 S ATOM 0 H CYS A 67 -10.840 -26.374 4.137 1.00 0.00 H new ATOM 0 HA CYS A 67 -12.678 -28.151 5.458 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -10.705 -28.671 3.923 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -9.639 -28.144 5.211 1.00 0.00 H new ATOM 1052 N ASP A 68 -12.280 -28.118 7.858 1.00 0.00 N ATOM 1053 CA ASP A 68 -12.227 -28.050 9.325 1.00 0.00 C ATOM 1054 C ASP A 68 -11.123 -28.952 9.917 1.00 0.00 C ATOM 1055 O ASP A 68 -10.821 -28.872 11.111 1.00 0.00 O ATOM 1056 CB ASP A 68 -13.618 -28.404 9.878 1.00 0.00 C ATOM 1057 CG ASP A 68 -13.758 -28.090 11.380 1.00 0.00 C ATOM 1058 OD1 ASP A 68 -13.609 -26.905 11.767 1.00 0.00 O ATOM 1059 OD2 ASP A 68 -14.073 -29.011 12.171 1.00 0.00 O ATOM 0 H ASP A 68 -12.910 -28.844 7.516 1.00 0.00 H new ATOM 0 HA ASP A 68 -11.962 -27.036 9.626 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -14.376 -27.852 9.323 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -13.811 -29.464 9.713 1.00 0.00 H new ATOM 1064 N TYR A 69 -10.507 -29.803 9.086 1.00 0.00 N ATOM 1065 CA TYR A 69 -9.588 -30.873 9.496 1.00 0.00 C ATOM 1066 C TYR A 69 -8.157 -30.704 8.943 1.00 0.00 C ATOM 1067 O TYR A 69 -7.214 -31.253 9.519 1.00 0.00 O ATOM 1068 CB TYR A 69 -10.179 -32.217 9.048 1.00 0.00 C ATOM 1069 CG TYR A 69 -11.601 -32.485 9.502 1.00 0.00 C ATOM 1070 CD1 TYR A 69 -11.845 -33.062 10.762 1.00 0.00 C ATOM 1071 CD2 TYR A 69 -12.683 -32.151 8.660 1.00 0.00 C ATOM 1072 CE1 TYR A 69 -13.166 -33.298 11.185 1.00 0.00 C ATOM 1073 CE2 TYR A 69 -14.005 -32.379 9.081 1.00 0.00 C ATOM 1074 CZ TYR A 69 -14.251 -32.954 10.348 1.00 0.00 C ATOM 1075 OH TYR A 69 -15.528 -33.192 10.759 1.00 0.00 O ATOM 0 H TYR A 69 -10.639 -29.764 8.075 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.491 -30.829 10.581 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -10.148 -32.264 7.959 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -9.540 -33.018 9.420 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -11.018 -33.324 11.405 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -12.495 -31.719 7.688 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -13.351 -33.743 12.152 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -14.831 -32.115 8.437 1.00 0.00 H new ATOM 0 HH TYR A 69 -16.155 -32.896 10.067 1.00 0.00 H new ATOM 1085 N CYS A 70 -7.984 -29.949 7.848 1.00 0.00 N ATOM 1086 CA CYS A 70 -6.692 -29.599 7.238 1.00 0.00 C ATOM 1087 C CYS A 70 -6.705 -28.185 6.602 1.00 0.00 C ATOM 1088 O CYS A 70 -7.657 -27.417 6.764 1.00 0.00 O ATOM 1089 CB CYS A 70 -6.279 -30.701 6.245 1.00 0.00 C ATOM 1090 SG CYS A 70 -7.321 -30.696 4.762 1.00 0.00 S ATOM 0 H CYS A 70 -8.774 -29.549 7.342 1.00 0.00 H new ATOM 0 HA CYS A 70 -5.936 -29.548 8.021 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -5.237 -30.559 5.958 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -6.346 -31.673 6.733 1.00 0.00 H new ATOM 1095 N SER A 71 -5.632 -27.832 5.886 1.00 0.00 N ATOM 1096 CA SER A 71 -5.440 -26.527 5.226 1.00 0.00 C ATOM 1097 C SER A 71 -6.132 -26.393 3.852 1.00 0.00 C ATOM 1098 O SER A 71 -5.978 -25.368 3.185 1.00 0.00 O ATOM 1099 CB SER A 71 -3.939 -26.225 5.086 1.00 0.00 C ATOM 1100 OG SER A 71 -3.283 -26.301 6.346 1.00 0.00 O ATOM 0 H SER A 71 -4.845 -28.465 5.743 1.00 0.00 H new ATOM 0 HA SER A 71 -5.924 -25.796 5.874 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.485 -26.933 4.393 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.803 -25.231 4.661 1.00 0.00 H new ATOM 0 HG SER A 71 -2.329 -26.107 6.231 1.00 0.00 H new ATOM 1106 N PHE A 72 -6.871 -27.413 3.399 1.00 0.00 N ATOM 1107 CA PHE A 72 -7.519 -27.452 2.079 1.00 0.00 C ATOM 1108 C PHE A 72 -8.585 -26.355 1.886 1.00 0.00 C ATOM 1109 O PHE A 72 -9.412 -26.107 2.771 1.00 0.00 O ATOM 1110 CB PHE A 72 -8.125 -28.848 1.886 1.00 0.00 C ATOM 1111 CG PHE A 72 -8.905 -29.069 0.604 1.00 0.00 C ATOM 1112 CD1 PHE A 72 -8.239 -29.440 -0.579 1.00 0.00 C ATOM 1113 CD2 PHE A 72 -10.309 -28.955 0.608 1.00 0.00 C ATOM 1114 CE1 PHE A 72 -8.974 -29.711 -1.748 1.00 0.00 C ATOM 1115 CE2 PHE A 72 -11.045 -29.229 -0.558 1.00 0.00 C ATOM 1116 CZ PHE A 72 -10.377 -29.613 -1.734 1.00 0.00 C ATOM 0 H PHE A 72 -7.040 -28.254 3.951 1.00 0.00 H new ATOM 0 HA PHE A 72 -6.762 -27.250 1.321 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -7.318 -29.580 1.927 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -8.785 -29.054 2.728 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -7.162 -29.517 -0.590 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -10.822 -28.656 1.510 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -8.461 -29.994 -2.655 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -12.122 -29.145 -0.550 1.00 0.00 H new ATOM 0 HZ PHE A 72 -10.942 -29.833 -2.628 1.00 0.00 H new ATOM 1126 N THR A 73 -8.598 -25.740 0.697 1.00 0.00 N ATOM 1127 CA THR A 73 -9.624 -24.776 0.252 1.00 0.00 C ATOM 1128 C THR A 73 -10.014 -25.002 -1.214 1.00 0.00 C ATOM 1129 O THR A 73 -9.149 -25.253 -2.058 1.00 0.00 O ATOM 1130 CB THR A 73 -9.191 -23.309 0.452 1.00 0.00 C ATOM 1131 OG1 THR A 73 -7.950 -23.025 -0.169 1.00 0.00 O ATOM 1132 CG2 THR A 73 -9.021 -22.916 1.916 1.00 0.00 C ATOM 0 H THR A 73 -7.876 -25.901 -0.006 1.00 0.00 H new ATOM 0 HA THR A 73 -10.493 -24.958 0.884 1.00 0.00 H new ATOM 0 HB THR A 73 -10.005 -22.741 0.001 1.00 0.00 H new ATOM 0 HG1 THR A 73 -7.219 -23.342 0.401 1.00 0.00 H new ATOM 0 HG21 THR A 73 -8.716 -21.872 1.979 1.00 0.00 H new ATOM 0 HG22 THR A 73 -9.967 -23.050 2.441 1.00 0.00 H new ATOM 0 HG23 THR A 73 -8.259 -23.545 2.375 1.00 0.00 H new ATOM 1140 N CYS A 74 -11.303 -24.874 -1.543 1.00 0.00 N ATOM 1141 CA CYS A 74 -11.854 -25.121 -2.888 1.00 0.00 C ATOM 1142 C CYS A 74 -13.010 -24.166 -3.251 1.00 0.00 C ATOM 1143 O CYS A 74 -13.505 -23.426 -2.403 1.00 0.00 O ATOM 1144 CB CYS A 74 -12.287 -26.594 -2.976 1.00 0.00 C ATOM 1145 SG CYS A 74 -13.682 -26.912 -1.860 1.00 0.00 S ATOM 0 H CYS A 74 -12.013 -24.589 -0.868 1.00 0.00 H new ATOM 0 HA CYS A 74 -11.075 -24.918 -3.623 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -12.570 -26.836 -4.000 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -11.450 -27.242 -2.716 1.00 0.00 H new ATOM 0 HG CYS A 74 -14.774 -27.034 -2.554 1.00 0.00 H new ATOM 1151 N LEU A 75 -13.443 -24.162 -4.518 1.00 0.00 N ATOM 1152 CA LEU A 75 -14.468 -23.238 -5.038 1.00 0.00 C ATOM 1153 C LEU A 75 -15.920 -23.731 -4.849 1.00 0.00 C ATOM 1154 O LEU A 75 -16.850 -22.950 -5.060 1.00 0.00 O ATOM 1155 CB LEU A 75 -14.167 -22.923 -6.522 1.00 0.00 C ATOM 1156 CG LEU A 75 -13.205 -21.739 -6.743 1.00 0.00 C ATOM 1157 CD1 LEU A 75 -11.812 -21.974 -6.159 1.00 0.00 C ATOM 1158 CD2 LEU A 75 -13.047 -21.474 -8.241 1.00 0.00 C ATOM 0 H LEU A 75 -13.089 -24.808 -5.223 1.00 0.00 H new ATOM 0 HA LEU A 75 -14.406 -22.327 -4.443 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -13.743 -23.811 -6.990 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -15.106 -22.712 -7.033 1.00 0.00 H new ATOM 0 HG LEU A 75 -13.649 -20.888 -6.227 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -11.186 -21.102 -6.350 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -11.891 -22.136 -5.084 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -11.365 -22.851 -6.626 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -12.366 -20.636 -8.392 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -12.643 -22.362 -8.727 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -14.019 -21.234 -8.673 1.00 0.00 H new ATOM 1170 N SER A 76 -16.128 -24.991 -4.443 1.00 0.00 N ATOM 1171 CA SER A 76 -17.455 -25.631 -4.370 1.00 0.00 C ATOM 1172 C SER A 76 -17.634 -26.464 -3.096 1.00 0.00 C ATOM 1173 O SER A 76 -16.880 -27.407 -2.848 1.00 0.00 O ATOM 1174 CB SER A 76 -17.681 -26.533 -5.594 1.00 0.00 C ATOM 1175 OG SER A 76 -17.655 -25.782 -6.798 1.00 0.00 O ATOM 0 H SER A 76 -15.369 -25.607 -4.151 1.00 0.00 H new ATOM 0 HA SER A 76 -18.190 -24.826 -4.353 1.00 0.00 H new ATOM 0 HB2 SER A 76 -16.912 -27.305 -5.627 1.00 0.00 H new ATOM 0 HB3 SER A 76 -18.640 -27.043 -5.501 1.00 0.00 H new ATOM 0 HG SER A 76 -17.800 -26.381 -7.560 1.00 0.00 H new ATOM 1181 N LYS A 77 -18.684 -26.177 -2.316 1.00 0.00 N ATOM 1182 CA LYS A 77 -18.981 -26.861 -1.042 1.00 0.00 C ATOM 1183 C LYS A 77 -19.274 -28.361 -1.210 1.00 0.00 C ATOM 1184 O LYS A 77 -18.923 -29.155 -0.340 1.00 0.00 O ATOM 1185 CB LYS A 77 -20.139 -26.120 -0.348 1.00 0.00 C ATOM 1186 CG LYS A 77 -20.247 -26.473 1.144 1.00 0.00 C ATOM 1187 CD LYS A 77 -21.365 -25.671 1.819 1.00 0.00 C ATOM 1188 CE LYS A 77 -21.449 -26.031 3.309 1.00 0.00 C ATOM 1189 NZ LYS A 77 -22.530 -25.276 3.994 1.00 0.00 N ATOM 0 H LYS A 77 -19.363 -25.454 -2.552 1.00 0.00 H new ATOM 0 HA LYS A 77 -18.090 -26.824 -0.415 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -19.995 -25.045 -0.455 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -21.076 -26.368 -0.846 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -20.441 -27.540 1.256 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -19.298 -26.268 1.639 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -21.177 -24.603 1.705 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -22.318 -25.880 1.332 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -21.628 -27.101 3.416 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -20.494 -25.818 3.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -22.558 -25.544 4.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -22.346 -24.256 3.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -23.444 -25.499 3.551 1.00 0.00 H new ATOM 1203 N GLY A 78 -19.827 -28.770 -2.355 1.00 0.00 N ATOM 1204 CA GLY A 78 -20.006 -30.184 -2.715 1.00 0.00 C ATOM 1205 C GLY A 78 -18.682 -30.945 -2.881 1.00 0.00 C ATOM 1206 O GLY A 78 -18.583 -32.107 -2.483 1.00 0.00 O ATOM 0 H GLY A 78 -20.167 -28.124 -3.067 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -20.604 -30.674 -1.946 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -20.571 -30.245 -3.645 1.00 0.00 H new ATOM 1210 N HIS A 79 -17.631 -30.281 -3.380 1.00 0.00 N ATOM 1211 CA HIS A 79 -16.286 -30.862 -3.448 1.00 0.00 C ATOM 1212 C HIS A 79 -15.604 -30.894 -2.069 1.00 0.00 C ATOM 1213 O HIS A 79 -14.883 -31.844 -1.764 1.00 0.00 O ATOM 1214 CB HIS A 79 -15.437 -30.136 -4.503 1.00 0.00 C ATOM 1215 CG HIS A 79 -14.120 -30.828 -4.779 1.00 0.00 C ATOM 1216 ND1 HIS A 79 -12.875 -30.241 -4.799 1.00 0.00 N ATOM 1217 CD2 HIS A 79 -13.935 -32.159 -5.049 1.00 0.00 C ATOM 1218 CE1 HIS A 79 -11.963 -31.192 -5.063 1.00 0.00 C ATOM 1219 NE2 HIS A 79 -12.561 -32.387 -5.214 1.00 0.00 N ATOM 0 H HIS A 79 -17.690 -29.331 -3.746 1.00 0.00 H new ATOM 0 HA HIS A 79 -16.383 -31.901 -3.762 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -16.004 -30.063 -5.431 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -15.243 -29.117 -4.167 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -12.678 -29.253 -4.640 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -14.713 -32.904 -5.122 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -10.900 -31.021 -5.143 1.00 0.00 H new ATOM 1227 N LEU A 80 -15.893 -29.922 -1.190 1.00 0.00 N ATOM 1228 CA LEU A 80 -15.445 -29.957 0.209 1.00 0.00 C ATOM 1229 C LEU A 80 -16.086 -31.113 0.998 1.00 0.00 C ATOM 1230 O LEU A 80 -15.392 -31.829 1.718 1.00 0.00 O ATOM 1231 CB LEU A 80 -15.725 -28.599 0.879 1.00 0.00 C ATOM 1232 CG LEU A 80 -15.187 -28.511 2.318 1.00 0.00 C ATOM 1233 CD1 LEU A 80 -13.665 -28.660 2.372 1.00 0.00 C ATOM 1234 CD2 LEU A 80 -15.554 -27.162 2.924 1.00 0.00 C ATOM 0 H LEU A 80 -16.440 -29.095 -1.428 1.00 0.00 H new ATOM 0 HA LEU A 80 -14.371 -30.141 0.214 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -15.276 -27.806 0.281 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -16.800 -28.421 0.888 1.00 0.00 H new ATOM 0 HG LEU A 80 -15.639 -29.328 2.880 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -13.329 -28.592 3.407 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -13.379 -29.628 1.961 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -13.201 -27.866 1.787 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -15.171 -27.105 3.943 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -15.116 -26.363 2.326 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -16.638 -27.052 2.937 1.00 0.00 H new ATOM 1246 N LYS A 81 -17.393 -31.345 0.823 1.00 0.00 N ATOM 1247 CA LYS A 81 -18.136 -32.451 1.455 1.00 0.00 C ATOM 1248 C LYS A 81 -17.518 -33.815 1.123 1.00 0.00 C ATOM 1249 O LYS A 81 -17.274 -34.619 2.023 1.00 0.00 O ATOM 1250 CB LYS A 81 -19.611 -32.330 1.027 1.00 0.00 C ATOM 1251 CG LYS A 81 -20.566 -33.430 1.517 1.00 0.00 C ATOM 1252 CD LYS A 81 -20.542 -33.650 3.041 1.00 0.00 C ATOM 1253 CE LYS A 81 -21.779 -34.402 3.560 1.00 0.00 C ATOM 1254 NZ LYS A 81 -22.030 -35.677 2.837 1.00 0.00 N ATOM 0 H LYS A 81 -17.978 -30.760 0.227 1.00 0.00 H new ATOM 0 HA LYS A 81 -18.076 -32.380 2.541 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -19.989 -31.370 1.378 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -19.648 -32.308 -0.062 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -21.582 -33.176 1.213 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -20.309 -34.366 1.021 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -19.645 -34.210 3.308 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -20.475 -32.684 3.541 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -21.651 -34.612 4.622 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -22.654 -33.759 3.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -22.729 -36.242 3.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -22.395 -35.470 1.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -21.142 -36.212 2.758 1.00 0.00 H new ATOM 1268 N VAL A 82 -17.172 -34.050 -0.146 1.00 0.00 N ATOM 1269 CA VAL A 82 -16.513 -35.299 -0.577 1.00 0.00 C ATOM 1270 C VAL A 82 -15.008 -35.322 -0.268 1.00 0.00 C ATOM 1271 O VAL A 82 -14.446 -36.393 -0.074 1.00 0.00 O ATOM 1272 CB VAL A 82 -16.881 -35.628 -2.035 1.00 0.00 C ATOM 1273 CG1 VAL A 82 -16.152 -34.783 -3.073 1.00 0.00 C ATOM 1274 CG2 VAL A 82 -16.675 -37.108 -2.368 1.00 0.00 C ATOM 0 H VAL A 82 -17.337 -33.388 -0.904 1.00 0.00 H new ATOM 0 HA VAL A 82 -16.904 -36.119 0.026 1.00 0.00 H new ATOM 0 HB VAL A 82 -17.941 -35.381 -2.095 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -16.470 -35.080 -4.072 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -16.387 -33.730 -2.915 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -15.077 -34.933 -2.975 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -16.949 -37.289 -3.408 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -15.628 -37.373 -2.217 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -17.301 -37.718 -1.717 1.00 0.00 H new ATOM 1284 N HIS A 83 -14.332 -34.173 -0.157 1.00 0.00 N ATOM 1285 CA HIS A 83 -12.959 -34.096 0.391 1.00 0.00 C ATOM 1286 C HIS A 83 -12.925 -34.610 1.839 1.00 0.00 C ATOM 1287 O HIS A 83 -12.065 -35.422 2.182 1.00 0.00 O ATOM 1288 CB HIS A 83 -12.405 -32.656 0.308 1.00 0.00 C ATOM 1289 CG HIS A 83 -11.193 -32.407 1.183 1.00 0.00 C ATOM 1290 ND1 HIS A 83 -9.880 -32.622 0.843 1.00 0.00 N ATOM 1291 CD2 HIS A 83 -11.199 -31.952 2.476 1.00 0.00 C ATOM 1292 CE1 HIS A 83 -9.110 -32.315 1.900 1.00 0.00 C ATOM 1293 NE2 HIS A 83 -9.869 -31.907 2.948 1.00 0.00 N ATOM 0 H HIS A 83 -14.713 -33.270 -0.441 1.00 0.00 H new ATOM 0 HA HIS A 83 -12.318 -34.735 -0.216 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -12.143 -32.438 -0.727 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -13.193 -31.958 0.591 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -9.546 -32.958 -0.060 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -12.077 -31.674 3.041 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -8.032 -32.384 1.914 1.00 0.00 H new ATOM 1301 N ILE A 84 -13.884 -34.195 2.673 1.00 0.00 N ATOM 1302 CA ILE A 84 -13.980 -34.643 4.071 1.00 0.00 C ATOM 1303 C ILE A 84 -14.182 -36.163 4.138 1.00 0.00 C ATOM 1304 O ILE A 84 -13.453 -36.846 4.858 1.00 0.00 O ATOM 1305 CB ILE A 84 -15.057 -33.828 4.827 1.00 0.00 C ATOM 1306 CG1 ILE A 84 -14.609 -32.350 4.959 1.00 0.00 C ATOM 1307 CG2 ILE A 84 -15.320 -34.413 6.228 1.00 0.00 C ATOM 1308 CD1 ILE A 84 -15.738 -31.384 5.348 1.00 0.00 C ATOM 0 H ILE A 84 -14.616 -33.539 2.401 1.00 0.00 H new ATOM 0 HA ILE A 84 -13.040 -34.447 4.587 1.00 0.00 H new ATOM 0 HB ILE A 84 -15.982 -33.882 4.252 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -13.818 -32.287 5.706 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -14.179 -32.026 4.011 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -16.081 -33.819 6.734 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -15.667 -35.442 6.133 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -14.398 -34.393 6.810 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -15.342 -30.371 5.419 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -16.521 -31.415 4.590 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -16.154 -31.680 6.311 1.00 0.00 H new ATOM 1320 N GLU A 85 -15.087 -36.718 3.331 1.00 0.00 N ATOM 1321 CA GLU A 85 -15.333 -38.168 3.297 1.00 0.00 C ATOM 1322 C GLU A 85 -14.145 -38.986 2.751 1.00 0.00 C ATOM 1323 O GLU A 85 -13.867 -40.072 3.266 1.00 0.00 O ATOM 1324 CB GLU A 85 -16.616 -38.465 2.508 1.00 0.00 C ATOM 1325 CG GLU A 85 -17.862 -38.055 3.305 1.00 0.00 C ATOM 1326 CD GLU A 85 -19.165 -38.353 2.541 1.00 0.00 C ATOM 1327 OE1 GLU A 85 -19.423 -39.530 2.193 1.00 0.00 O ATOM 1328 OE2 GLU A 85 -19.959 -37.409 2.316 1.00 0.00 O ATOM 0 H GLU A 85 -15.668 -36.184 2.685 1.00 0.00 H new ATOM 0 HA GLU A 85 -15.458 -38.489 4.331 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -16.595 -37.929 1.559 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -16.664 -39.528 2.273 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -17.872 -38.584 4.258 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -17.812 -36.990 3.533 1.00 0.00 H new ATOM 1335 N ARG A 86 -13.410 -38.467 1.755 1.00 0.00 N ATOM 1336 CA ARG A 86 -12.225 -39.125 1.165 1.00 0.00 C ATOM 1337 C ARG A 86 -10.987 -39.089 2.065 1.00 0.00 C ATOM 1338 O ARG A 86 -10.255 -40.077 2.127 1.00 0.00 O ATOM 1339 CB ARG A 86 -11.880 -38.469 -0.179 1.00 0.00 C ATOM 1340 CG ARG A 86 -12.851 -38.890 -1.294 1.00 0.00 C ATOM 1341 CD ARG A 86 -12.513 -38.174 -2.603 1.00 0.00 C ATOM 1342 NE ARG A 86 -12.705 -36.711 -2.496 1.00 0.00 N ATOM 1343 CZ ARG A 86 -12.330 -35.790 -3.370 1.00 0.00 C ATOM 1344 NH1 ARG A 86 -11.759 -36.092 -4.499 1.00 0.00 N ATOM 1345 NH2 ARG A 86 -12.532 -34.525 -3.136 1.00 0.00 N ATOM 0 H ARG A 86 -13.622 -37.565 1.328 1.00 0.00 H new ATOM 0 HA ARG A 86 -12.496 -40.173 1.035 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -11.903 -37.385 -0.069 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -10.863 -38.739 -0.463 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -12.800 -39.969 -1.440 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -13.874 -38.657 -1.000 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -11.479 -38.386 -2.876 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -13.141 -38.565 -3.404 1.00 0.00 H new ATOM 0 HE ARG A 86 -13.178 -36.375 -1.657 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -11.585 -37.068 -4.738 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -11.485 -35.352 -5.146 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -12.985 -34.232 -2.270 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -12.238 -33.827 -3.819 1.00 0.00 H new ATOM 1359 N VAL A 87 -10.729 -37.957 2.726 1.00 0.00 N ATOM 1360 CA VAL A 87 -9.458 -37.689 3.431 1.00 0.00 C ATOM 1361 C VAL A 87 -9.551 -37.850 4.955 1.00 0.00 C ATOM 1362 O VAL A 87 -8.582 -38.296 5.571 1.00 0.00 O ATOM 1363 CB VAL A 87 -8.912 -36.297 3.037 1.00 0.00 C ATOM 1364 CG1 VAL A 87 -7.511 -36.034 3.604 1.00 0.00 C ATOM 1365 CG2 VAL A 87 -8.792 -36.149 1.510 1.00 0.00 C ATOM 0 H VAL A 87 -11.398 -37.190 2.791 1.00 0.00 H new ATOM 0 HA VAL A 87 -8.752 -38.453 3.106 1.00 0.00 H new ATOM 0 HB VAL A 87 -9.628 -35.587 3.450 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -7.175 -35.043 3.298 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -7.543 -36.086 4.692 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.818 -36.786 3.225 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -8.405 -35.159 1.270 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -8.112 -36.908 1.123 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.774 -36.276 1.054 1.00 0.00 H new ATOM 1375 N HIS A 88 -10.694 -37.526 5.572 1.00 0.00 N ATOM 1376 CA HIS A 88 -10.812 -37.404 7.037 1.00 0.00 C ATOM 1377 C HIS A 88 -11.786 -38.390 7.714 1.00 0.00 C ATOM 1378 O HIS A 88 -11.714 -38.557 8.935 1.00 0.00 O ATOM 1379 CB HIS A 88 -11.151 -35.942 7.377 1.00 0.00 C ATOM 1380 CG HIS A 88 -10.175 -34.947 6.796 1.00 0.00 C ATOM 1381 ND1 HIS A 88 -8.824 -34.875 7.050 1.00 0.00 N ATOM 1382 CD2 HIS A 88 -10.466 -33.934 5.925 1.00 0.00 C ATOM 1383 CE1 HIS A 88 -8.311 -33.846 6.359 1.00 0.00 C ATOM 1384 NE2 HIS A 88 -9.280 -33.226 5.643 1.00 0.00 N ATOM 0 H HIS A 88 -11.564 -37.340 5.074 1.00 0.00 H new ATOM 0 HA HIS A 88 -9.846 -37.689 7.454 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -12.152 -35.714 7.010 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -11.175 -35.825 8.460 1.00 0.00 H new ATOM 0 HD1 HIS A 88 -8.300 -35.500 7.662 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -11.443 -33.713 5.520 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -7.272 -33.553 6.372 1.00 0.00 H new ATOM 1392 N LYS A 89 -12.670 -39.067 6.962 1.00 0.00 N ATOM 1393 CA LYS A 89 -13.678 -40.018 7.497 1.00 0.00 C ATOM 1394 C LYS A 89 -13.404 -41.499 7.175 1.00 0.00 C ATOM 1395 O LYS A 89 -14.263 -42.349 7.421 1.00 0.00 O ATOM 1396 CB LYS A 89 -15.102 -39.581 7.096 1.00 0.00 C ATOM 1397 CG LYS A 89 -15.470 -38.131 7.468 1.00 0.00 C ATOM 1398 CD LYS A 89 -15.478 -37.884 8.983 1.00 0.00 C ATOM 1399 CE LYS A 89 -15.792 -36.415 9.289 1.00 0.00 C ATOM 1400 NZ LYS A 89 -15.793 -36.154 10.753 1.00 0.00 N ATOM 0 H LYS A 89 -12.711 -38.972 5.947 1.00 0.00 H new ATOM 0 HA LYS A 89 -13.591 -39.968 8.582 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -15.213 -39.702 6.018 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -15.818 -40.254 7.568 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -14.760 -37.450 6.998 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -16.454 -37.896 7.062 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -16.220 -38.526 9.458 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -14.509 -38.150 9.405 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -15.055 -35.775 8.804 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -16.764 -36.154 8.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -15.720 -35.131 10.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -16.677 -36.512 11.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -14.983 -36.637 11.192 1.00 0.00 H new ATOM 1414 N LYS A 90 -12.211 -41.822 6.661 1.00 0.00 N ATOM 1415 CA LYS A 90 -11.723 -43.196 6.418 1.00 0.00 C ATOM 1416 C LYS A 90 -10.238 -43.366 6.770 1.00 0.00 C ATOM 1417 O LYS A 90 -9.495 -42.385 6.863 1.00 0.00 O ATOM 1418 CB LYS A 90 -12.026 -43.630 4.969 1.00 0.00 C ATOM 1419 CG LYS A 90 -11.282 -42.808 3.898 1.00 0.00 C ATOM 1420 CD LYS A 90 -11.530 -43.329 2.474 1.00 0.00 C ATOM 1421 CE LYS A 90 -10.890 -44.707 2.247 1.00 0.00 C ATOM 1422 NZ LYS A 90 -11.054 -45.164 0.843 1.00 0.00 N ATOM 0 H LYS A 90 -11.530 -41.112 6.391 1.00 0.00 H new ATOM 0 HA LYS A 90 -12.266 -43.859 7.091 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -11.762 -44.681 4.853 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -13.099 -43.549 4.794 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -11.598 -41.767 3.960 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -10.212 -42.829 4.107 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -12.603 -43.393 2.293 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -11.127 -42.618 1.752 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -9.829 -44.661 2.493 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -11.342 -45.434 2.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -10.610 -46.097 0.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -12.067 -45.232 0.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -10.601 -44.483 0.201 1.00 0.00 H new ATOM 1436 N ILE A 91 -9.814 -44.617 6.949 1.00 0.00 N ATOM 1437 CA ILE A 91 -8.422 -45.015 7.206 1.00 0.00 C ATOM 1438 C ILE A 91 -7.620 -45.197 5.903 1.00 0.00 C ATOM 1439 O ILE A 91 -8.190 -45.339 4.814 1.00 0.00 O ATOM 1440 CB ILE A 91 -8.358 -46.268 8.112 1.00 0.00 C ATOM 1441 CG1 ILE A 91 -9.025 -47.501 7.462 1.00 0.00 C ATOM 1442 CG2 ILE A 91 -8.965 -45.943 9.490 1.00 0.00 C ATOM 1443 CD1 ILE A 91 -8.810 -48.794 8.259 1.00 0.00 C ATOM 0 H ILE A 91 -10.451 -45.413 6.919 1.00 0.00 H new ATOM 0 HA ILE A 91 -7.944 -44.198 7.747 1.00 0.00 H new ATOM 0 HB ILE A 91 -7.310 -46.537 8.247 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -10.095 -47.317 7.362 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -8.629 -47.632 6.455 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -8.919 -46.827 10.126 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -8.402 -45.133 9.954 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -10.004 -45.639 9.367 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -9.303 -49.622 7.749 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -7.743 -49.000 8.337 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -9.231 -48.680 9.258 1.00 0.00 H new ATOM 1455 N LYS A 92 -6.289 -45.200 6.032 1.00 0.00 N ATOM 1456 CA LYS A 92 -5.318 -45.465 4.954 1.00 0.00 C ATOM 1457 C LYS A 92 -5.217 -46.966 4.633 1.00 0.00 C ATOM 1458 O LYS A 92 -5.356 -47.330 3.443 1.00 0.00 O ATOM 1459 CB LYS A 92 -3.961 -44.846 5.344 1.00 0.00 C ATOM 1460 CG LYS A 92 -2.847 -44.999 4.289 1.00 0.00 C ATOM 1461 CD LYS A 92 -3.147 -44.382 2.912 1.00 0.00 C ATOM 1462 CE LYS A 92 -3.414 -42.872 2.996 1.00 0.00 C ATOM 1463 NZ LYS A 92 -3.618 -42.278 1.648 1.00 0.00 N ATOM 1464 OXT LYS A 92 -5.005 -47.771 5.569 1.00 0.00 O ATOM 0 H LYS A 92 -5.836 -45.010 6.926 1.00 0.00 H new ATOM 0 HA LYS A 92 -5.660 -44.996 4.032 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -4.107 -43.785 5.545 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -3.624 -45.303 6.275 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -1.936 -44.545 4.680 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -2.642 -46.061 4.155 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -2.305 -44.563 2.244 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -4.013 -44.878 2.475 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -4.295 -42.691 3.611 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -2.575 -42.380 3.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -3.796 -41.258 1.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -2.767 -42.430 1.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -4.434 -42.731 1.189 1.00 0.00 H new TER 1478 LYS A 92 HETATM 1479 ZN ZN A 101 11.352 8.010 -6.239 1.00 0.00 ZN HETATM 1480 ZN ZN A 102 -3.244 -8.837 -8.308 1.00 0.00 ZN HETATM 1481 ZN ZN A 103 -9.313 -31.545 4.744 1.00 0.00 ZN